CFam Chemical Families Database
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You are searching for "CFAMM00486587" in compound.

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CFAM Mol ID CFAMM00486587
Family CFFBM28725 Glutamate racemase inhibitor AGN-PC-077KKZ family
Superfamily CFSBM10119 Glutamate racemase Binder Superfamily
Class CFCBM808 Class 3858
External ID CHEMBL467999 External Source CHEMBL
PubChem CID 44577767 Functional Category Bioactive
Molecule Name AGN-PC-077KKZ
IUPAC Name 5-[2-[(5-chloro-1H-indol-3-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]-N,1-dimethylpyrrole-3-sulfonamide
Synonyms SureCN5394009;CHEBI:588664;5-[2-[(5-chloro-1H-indol-3-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]-N,1-dimethylpyrrole-3-sulfonamide
InChi InChI=1S/C25H26ClN7O4S/c1-27-38(36,37)17-9-20(30(2)13-17)22-21-23(32(11-14-4-5-14)25(35)31(3)24(21)34)29-33(22)12-15-10-28-19-7-6-16(26)8-18(15)19/h6-10,13-14,27-28H,4-5,11-12H2,1-3H3
InChiKey HMQHVCVVKIMOKG-UHFFFAOYSA-N
Formula C25H26ClN7O4S Molecular Weight 556.04
Cross Link CHEMBL467999
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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