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1-methyl-5-{methyl[(2-methyl-1,3-thiazol-4-yl)methyl]amino}-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

ChemBase ID: 340886
Molecular Formular: C23H29N5OS
Molecular Mass: 423.57426
Monoisotopic Mass: 423.20928157
SMILES and InChIs

SMILES:
c12c(nn(c1CCC(C2)N(Cc1nc(sc1)C)C)C)C(=O)NCCc1ccccc1
Canonical SMILES:
CN(C1CCc2c(C1)c(nn2C)C(=O)NCCc1ccccc1)Cc1csc(n1)C
InChI:
InChI=1S/C23H29N5OS/c1-16-25-18(15-30-16)14-27(2)19-9-10-21-20(13-19)22(26-28(21)3)23(29)24-12-11-17-7-5-4-6-8-17/h4-8,15,19H,9-14H2,1-3H3,(H,24,29)
InChIKey:
OOOPPGQRHLQYJJ-UHFFFAOYSA-N

Cite this record

CBID:340886 http://www.chembase.cn/molecule-340886.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-5-{methyl[(2-methyl-1,3-thiazol-4-yl)methyl]amino}-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
IUPAC Traditional name
1-methyl-5-{methyl[(2-methyl-1,3-thiazol-4-yl)methyl]amino}-N-(2-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
Synonyms
1-methyl-5-{methyl[(2-methyl-1,3-thiazol-4-yl)methyl]amino}-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13943235 external link Add to cart
Data Source Data ID Price
ChemBridge
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.291418  H Acceptors
H Donor LogD (pH = 5.5) 1.125802 
LogD (pH = 7.4) 2.7098837  Log P 3.0005853 
Molar Refractivity 132.5816 cm3 Polarizability 45.834427 Å3
Polar Surface Area 63.05 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.44  LOG S -5.56 
Polar Surface Area 63.05 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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