CFam Chemical Families Database
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You are searching for "CFAMM00178360" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00178360
Family CFFID71 WAY-162545 family
Superfamily CFSID56 WAY-162545 Superfamily
Class CFCID34 Class 1384
External ID DND000099 External Source TTD
PubChem CID 11521822 Functional Category Investigative Drug
Molecule Name WAY-162545
IUPAC Name
Synonyms Vabicaserin [INN];620948-93-8;Cyclopenta(4,5)pyrido(3,2,1-jk)(1,4)benzodiazepine, 4,5,6,7,9,9a,10,11,12,12a-decahydro-, (9aR,12aS)-rel-(-)-;UNII-WD9550HPNL;SureCN2980790;CHEMBL2110670;KB-81420;(-)-(9aR*,12aS*)-4,5,6,7,9,9a,10,11,12,12a-decahydrocyclopenta(4,5)pyrido(3,2,1-jk)(1,4)benzodiazepine;887258-95-9;Cyclopenta(4,5)pyrido(3,2,1-jk)(1,4)benzodiazepine, 1,2,3,4,6,6a,7,8,9,9a-decahydro-, (6aR,9aS)-
InChi InChI=1S/C15H20N2/c1-3-11-9-16-7-8-17-10-12-4-2-5-13(12)14(6-1)15(11)17/h1,3,6,12-13,16H,2,4-5,7-10H2/t12-,13-/m0/s1
InChiKey NPTIPEQJIDTVKR-STQMWFEESA-N
Formula C15H20N2 Molecular Weight 228.33
Cross Link CHEMBL2110670
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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