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[(4-chloro-1-methyl-1H-indazol-3-yl)methyl](methyl){[3-(pyridin-4-yl)-1,2-oxazol-5-yl]methyl}amine

ChemBase ID: 370853
Molecular Formular: C19H18ClN5O
Molecular Mass: 367.83212
Monoisotopic Mass: 367.1199879
SMILES and InChIs

SMILES:
c1(nn(c2c1c(Cl)ccc2)C)CN(Cc1cc(no1)c1ccncc1)C
Canonical SMILES:
CN(Cc1nn(c2c1c(Cl)ccc2)C)Cc1onc(c1)c1ccncc1
InChI:
InChI=1S/C19H18ClN5O/c1-24(11-14-10-16(23-26-14)13-6-8-21-9-7-13)12-17-19-15(20)4-3-5-18(19)25(2)22-17/h3-10H,11-12H2,1-2H3
InChIKey:
PEIJBQXPIMHRGT-UHFFFAOYSA-N

Cite this record

CBID:370853 http://www.chembase.cn/molecule-370853.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(4-chloro-1-methyl-1H-indazol-3-yl)methyl](methyl){[3-(pyridin-4-yl)-1,2-oxazol-5-yl]methyl}amine
IUPAC Traditional name
[(4-chloro-1-methylindazol-3-yl)methyl](methyl){[3-(pyridin-4-yl)-1,2-oxazol-5-yl]methyl}amine
Synonyms
1-(4-chloro-1-methyl-1H-indazol-3-yl)-N-methyl-N-{[3-(4-pyridinyl)-5-isoxazolyl]methyl}methanamine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 1.5898482  LogD (pH = 7.4) 2.7825062 
Log P 2.87132  Molar Refractivity 112.6538 cm3
Polarizability 40.96527 Å3 Polar Surface Area 59.98 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.23  LOG S -2.78 
Polar Surface Area 59.98 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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