CFam Chemical Families Database
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You are searching for "CFAMM00276182" in compound.

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CFAM Mol ID CFAMM00276182
Family CFFID2781 Poly [ADP-ribose] polymerase 1 Inhibitor N-(4-phenylthiazol-2-yl)isonicotinamide Family
Superfamily CFSID1436 Cyclin-dependent kinase 5 and Poly [ADP-ribose] polymerase 1 Binder Superfamily
Class CFCID250 Class 1600
External ID ZINC49543790 External Source ZINC
PubChem CID 51052391 Functional Category Natural Product
Molecule Name 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-N-(4-(pyridin-2-yl)thiazol-2-yl)pentanamide
IUPAC Name 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentanamide
Synonyms MolPort-009-649-380;MolPort-019-794-460;ZINC49543790;MCULE-1638511135
InChi InChI=1S/C18H21N5O2S2/c24-15(22-18-21-12(9-27-18)11-5-3-4-8-19-11)7-2-1-6-14-16-13(10-26-14)20-17(25)23-16/h3-5,8-9,13-14,16H,1-2,6-7,10H2,(H2,20,23,25)(H,21,22,24)/t13-,14-,16-/m0/s1
InChiKey SLOMNJRSBUCFBV-DZKIICNBSA-N
Formula C18H21N5O2S2 Molecular Weight 403.52
Cross Link
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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