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N-{[2-(4-chlorophenyl)-6H,7H,8H-cyclopenta[g]quinolin-3-yl]methyl}-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide

ChemBase ID: 450146
Molecular Formular: C26H24ClN3O2S
Molecular Mass: 478.00566
Monoisotopic Mass: 477.1277757
SMILES and InChIs

SMILES:
n1c(c(CN(C(=O)c2scnc2)CCOC)cc2c1cc1c(c2)CCC1)c1ccc(cc1)Cl
Canonical SMILES:
COCCN(C(=O)c1cncs1)Cc1cc2cc3CCCc3cc2nc1c1ccc(cc1)Cl
InChI:
InChI=1S/C26H24ClN3O2S/c1-32-10-9-30(26(31)24-14-28-16-33-24)15-21-12-20-11-18-3-2-4-19(18)13-23(20)29-25(21)17-5-7-22(27)8-6-17/h5-8,11-14,16H,2-4,9-10,15H2,1H3
InChIKey:
CULRTPNNVFHNCN-UHFFFAOYSA-N

Cite this record

CBID:450146 http://www.chembase.cn/molecule-450146.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{[2-(4-chlorophenyl)-6H,7H,8H-cyclopenta[g]quinolin-3-yl]methyl}-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
IUPAC Traditional name
N-{[2-(4-chlorophenyl)-6H,7H,8H-cyclopenta[g]quinolin-3-yl]methyl}-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
Synonyms
N-{[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl}-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 30682033 external link Add to cart
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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) 5.529943  LogD (pH = 7.4) 5.542269 
Log P 5.5424285  Molar Refractivity 131.9499 cm3
Polarizability 52.663612 Å3 Polar Surface Area 55.32 Å2
Rotatable Bonds Lipinski's Rule of Five false 
H Acceptors H Donor
Log P 5.1  LOG S -5.95 
Polar Surface Area 55.32 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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