CFam Chemical Families Database
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You are searching for "CFAMM00395845" in compound.

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CFAM Mol ID CFAMM00395845
Family CFFBM9484 Cytochrome P450 1A2 and Cytochrome P450 3A4 inhibitor 4-[4-[2-[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]ethynyl]phenoxy]-N-(1-methylpiperidin-4-yl)benzamide family
Superfamily CFSID1202 Caspase-3 and Histamine H3 receptor Binder Superfamily
Class CFCCD80 Class 893
External ID CHEMBL1940282 External Source CHEMBL
PubChem CID 57399912 Functional Category Bioactive
Molecule Name 4-[4-[2-[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]ethynyl]phenoxy]-N-[(3-methylsulfonylphenyl)methyl]benzamide
IUPAC Name 4-[4-[2-[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]ethynyl]phenoxy]-N-[(3-methylsulfonylphenyl)methyl]benzamide
Synonyms
InChi InChI=1S/C30H30N2O5S/c1-38(35,36)28-4-2-3-23(19-28)20-31-29(33)24-7-11-27(12-8-24)37-26-9-5-22(6-10-26)13-16-30(34)21-32-17-14-25(30)15-18-32/h2-12,19,25,34H,14-15,17-18,20-21H2,1H3,(H,31,33)/t30-/m0/s1
InChiKey IPGBSWJQXVYQBT-PMERELPUSA-N
Formula C30H30N2O5S Molecular Weight 530.63
Cross Link CHEMBL1940282
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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