Chembase list of 866358 unique molecular structures

4-amino-6-methylpyrimidine-5-carbonitrile

$$$$

M. F.

C6H6N4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40481

Database

Data ID

M. W.

134.13864

CAS

76574-44-2

Similarity

N/A

ID: 816302

methyl 3-cyanothiophene-2-carboxylate

$$$$

M. F.

C7H5NO2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40483

Database

Data ID

M. W.

167.1851

CAS

67808-31-5

Similarity

N/A

ID: 816303

3-methyl-5,6,7,8-tetrahydroquinolin-5-one

$$$$

M. F.

C10H11NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40488

Database

Data ID

M. W.

161.20044

CAS

60247-70-3

Similarity

N/A

ID: 816304

(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-(4-hydroxyphenyl)acetic aci...

$$$$

M. F.

C23H19NO5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40494

Database

Data ID

M. W.

389.40066

CAS

182883-41-6

Similarity

N/A

ID: 816305

(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(3-methoxyphenyl)propanoic ...

$$$$

M. F.

C25H23NO5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40495

Database

Data ID

M. W.

417.45382

CAS

206060-40-4

Similarity

N/A

ID: 816306

(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(2-methoxyphenyl)propanoic ...

$$$$

M. F.

C25H23NO5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40496

Database

Data ID

M. W.

417.45382

CAS

143415-63-8

Similarity

N/A

ID: 816307

(2S)-3-(4-ethylphenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic ac...

$$$$

M. F.

C26H25NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40497

Database

Data ID

M. W.

415.481

CAS

204384-72-5

Similarity

N/A

ID: 816308

(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[4-(propan-2-yl)phenyl]prop...

$$$$

M. F.

C27H27NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40498

Database

Data ID

M. W.

429.50758

CAS

204384-73-6

Similarity

N/A

ID: 816309

(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid

$$$$

M. F.

C15H21NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40499

Database

Data ID

M. W.

279.33154

CAS

80102-26-7

Similarity

N/A

ID: 816310

(2R)-3-(2-bromophenyl)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid

$$$$

M. F.

C14H18BrNO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40503

Database

Data ID

M. W.

344.20102

CAS

261165-02-0

Similarity

N/A

ID: 816311

(2R)-3-(3-bromophenyl)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid

$$$$

M. F.

C14H18BrNO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40504

Database

Data ID

M. W.

344.20102

CAS

261360-77-4

Similarity

N/A

ID: 816312

(2S)-3-(2-bromophenyl)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid

$$$$

M. F.

C14H18BrNO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40505

Database

Data ID

M. W.

344.20102

CAS

261165-02-0

Similarity

N/A

ID: 816313

(2S)-3-(3-bromophenyl)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid

$$$$

M. F.

C14H18BrNO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40506

Database

Data ID

M. W.

344.20102

CAS

82278-73-7

Similarity

N/A

ID: 816314

(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(3,4-dimethoxyphenyl)propanoic acid

$$$$

M. F.

C16H23NO6

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40507

Database

Data ID

M. W.

325.35692

CAS

127095-97-0

Similarity

N/A

ID: 816315

(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(3,4-dimethoxyphenyl)propanoic acid

$$$$

M. F.

C16H23NO6

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40508

Database

Data ID

M. W.

325.35692

CAS

218457-71-7

Similarity

N/A

ID: 816316

(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid

$$$$

M. F.

C15H21NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40509

Database

Data ID

M. W.

279.33154

CAS

80102-27-8

Similarity

N/A

ID: 816317

(2S)-3-(3,4-dimethoxyphenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propan...

$$$$

M. F.

C26H25NO6

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40510

Database

Data ID

M. W.

447.4798

CAS

184962-88-7

Similarity

N/A

ID: 816318

(2R)-3-(3,4-dimethoxyphenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propan...

$$$$

M. F.

C26H25NO6

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40511

Database

Data ID

M. W.

447.4798

CAS

218457-81-9

Similarity

N/A

ID: 816319

(2S)-2-amino-4-(4-methoxyphenyl)butanoic acid

$$$$

M. F.

C11H15NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40516

Database

Data ID

M. W.

209.2417

CAS

82310-97-2

Similarity

N/A

ID: 816320

(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid

$$$$

M. F.

C11H15NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40517

Database

Data ID

M. W.

209.2417

CAS

82310-95-0

Similarity

N/A

ID: 816321

1-(3-aminopyridin-2-yl)ethan-1-one

$$$$

M. F.

C7H8N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40532

Database

Data ID

M. W.

136.15122

CAS

13210-25-8

Similarity

N/A

ID: 816322

2-aminopyridine-3,5-dicarboxylic acid

$$$$

M. F.

C7H6N2O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40533

Database

Data ID

M. W.

182.13354

CAS

89795-70-0

Similarity

N/A

ID: 816323

rac-(2R)-2-amino-3-(2,3-dichlorophenyl)propanoic acid

$$$$

M. F.

C9H9Cl2NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40534

Database

Data ID

M. W.

234.07926

CAS

110300-04-4

Similarity

N/A

ID: 816324

3-amino-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one

$$$$

M. F.

C15H13N3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40535

Database

Data ID

M. W.

251.28322

CAS

103343-47-1

Similarity

N/A

ID: 816325

2,3-dihydro-1H-isoindole-1-carboxylic acid

$$$$

M. F.

C9H9NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40537

Database

Data ID

M. W.

163.17326

CAS

66938-02-1

Similarity

N/A

ID: 816326

rel-ethyl (1R,2S)-2-aminocyclohexane-1-carboxylate

$$$$

M. F.

C9H17NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40538

Database

Data ID

M. W.

171.23678

CAS

1127-99-7

Similarity

N/A

ID: 816327

methyl (2R)-5-oxopyrrolidine-2-carboxylate

$$$$

M. F.

C6H9NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40541

Database

Data ID

M. W.

143.14056

CAS

54571-66-3

Similarity

N/A

ID: 816328

(2R)-piperazine-2-carboxylic acid

$$$$

M. F.

C5H10N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40543

Database

Data ID

M. W.

130.1451

CAS

24182-11-4

Similarity

N/A

ID: 816329

(2S)-piperazine-2-carboxylic acid

$$$$

M. F.

C5H10N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40544

Database

Data ID

M. W.

130.1451

CAS

147650-70-2

Similarity

N/A

ID: 816330

thiomorpholine-4-carboxylic acid

$$$$

M. F.

C5H9NO2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40547

Database

Data ID

M. W.

147.19546

CAS

20960-92-3

Similarity

N/A

ID: 816331

(2R)-2-amino-3-(4-{4-[(2R)-2-amino-2-carboxyethyl]phenyl}phenyl)propanoic acid

$$$$

M. F.

C18H20N2O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40549 AJA-O40548

Database

Data ID

M. W.

328.3624

CAS

170080-13-4

Similarity

N/A

ID: 816332

{8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexa...

$$$$

M. F.

C12H9BO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40560

Database

Data ID

M. W.

212.00906

CAS

Similarity

N/A

ID: 816333

(4-formylthiophen-3-yl)boronic acid

$$$$

M. F.

C5H5BO3S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40573

Database

Data ID

M. W.

155.9674

CAS

4347-32-4

Similarity

N/A

ID: 816334

5-iodo-2-methyl-1-benzofuran

$$$$

M. F.

C9H7IO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40579

Database

Data ID

M. W.

258.05575

CAS

60770-68-5

Similarity

N/A

ID: 816335

6-iodo-3,4-dihydro-2H-1-benzopyran-4-one

$$$$

M. F.

C9H7IO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40580

Database

Data ID

M. W.

274.05515

CAS

101714-35-6

Similarity

N/A

ID: 816336

N-[(1R,3R)-3-aminocyclopentyl]-2-(4-fluoro-3-methylbenzenesulfonamido)acetamide

$$$$

M. F.

C14H20FN3O3S

Suppliers	Catalog Number
ChemBridge	58052820

Database

Data ID

M. W.

329.3903032

CAS

Similarity

N/A

ID: 816337

[(5-chlorothiophen-2-yl)methyl](methyl){[3-(pyridin-4-yl)-1,2-oxazol-5-yl]methyl...

$$$$

M. F.

C15H14ClN3OS

Suppliers	Catalog Number
ChemBridge	58053072

Database

Data ID

M. W.

319.80916

CAS

Similarity

N/A

ID: 816338

4-[(5-chloro-2-fluorophenyl)methyl]-1,3λ⁶,4-oxathiazinane-3,3-dione

$$$$

M. F.

C10H11ClFNO3S

Suppliers	Catalog Number
ChemBridge	58053374

Database

Data ID

M. W.

279.7156432

CAS

Similarity

N/A

ID: 816339

1'-[3-(5-methyl-1H-pyrazol-1-yl)propyl]spiro[indene-1,4'-piperidine]

$$$$

M. F.

C20H25N3

Suppliers	Catalog Number
ChemBridge	58053388

Database

Data ID

M. W.

307.4326

CAS

Similarity

N/A

ID: 816340

5-chloro-2-methoxy-4-{pyrazolo[1,5-a]pyrimidin-3-yl}pyridine

$$$$

M. F.

C12H9ClN4O

Suppliers	Catalog Number
ChemBridge	58053392

Database

Data ID

M. W.

260.67906

CAS

Similarity

N/A

ID: 816341

N-[3-hydroxy-2-(thiophen-3-ylmethyl)propyl]-1-(propan-2-yl)-1H-pyrazole-4-carbox...

$$$$

M. F.

C15H21N3O2S

Suppliers	Catalog Number
ChemBridge	58053542

Database

Data ID

M. W.

307.41114

CAS

Similarity

N/A

ID: 816342

(1R,2S,9R)-11-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-7,11-diazatricycl...

$$$$

M. F.

C21H27N3O2

Suppliers	Catalog Number
ChemBridge	58053611

Database

Data ID

M. W.

353.45798

CAS

Similarity

N/A

ID: 816343

3,5,7-trimethyl-2-(1,4-oxazepane-4-carbonyl)-1H-indole

$$$$

M. F.

C17H22N2O2

Suppliers	Catalog Number
ChemBridge	58053680

Database

Data ID

M. W.

286.36878

CAS

Similarity

N/A

ID: 816344

3-(3-methoxypropyl)-1-[4-(1H-pyrazol-3-yl)benzoyl]piperidine-3-carboxylic acid

$$$$

M. F.

C20H25N3O4

Suppliers	Catalog Number
ChemBridge	58053768

Database

Data ID

M. W.

371.4302

CAS

Similarity

N/A

ID: 816345

(1S,5R)-3-benzyl-6-[(5-ethylpyridin-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane

$$$$

M. F.

C22H29N3

Suppliers	Catalog Number
ChemBridge	58053906

Database

Data ID

M. W.

335.48576

CAS

Similarity

N/A

ID: 816346

N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-3-(piperidine-1-carbonyl)pyrazine-2-c...

$$$$

M. F.

C18H22N6O2

Suppliers	Catalog Number
ChemBridge	58054020

Database

Data ID

M. W.

354.40628

CAS

Similarity

N/A

ID: 816347

2-{3-cyclopentyl-5-[1-(4-methoxyphenyl)cyclopropyl]-1H-1,2,4-triazol-1-yl}acetic...

$$$$

M. F.

C19H23N3O3

Suppliers	Catalog Number
ChemBridge	58054141

Database

Data ID

M. W.

341.40422

CAS

Similarity

N/A

ID: 816348

1-(1-{[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl}pyrrolidin-3-yl)-4-methylpiper...

$$$$

M. F.

C19H25FN4S

Suppliers	Catalog Number
ChemBridge	58054608

Database

Data ID

M. W.

360.4920032

CAS

Similarity

N/A

ID: 816349

ethyl 1-(cyclopropylmethyl)-5-[2-(morpholin-4-yl)ethyl]-1H,4H,5H,6H,7H-pyrazolo[...

$$$$

M. F.

C19H30N4O3

Suppliers	Catalog Number
ChemBridge	58055114

Database

Data ID

M. W.

362.4665

CAS

Similarity

N/A

ID: 816350

4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-[3-(1H-imidazol-2-yl)benzoyl]piperi...

$$$$

M. F.

C22H25N5O

Suppliers	Catalog Number
ChemBridge	58055383

Database

Data ID

M. W.

375.4668

CAS

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified