CFam Chemical Families Database
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You are searching for "CFAMM00476360" in compound.

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CFAM Mol ID CFAMM00476360
Family CFFBM25884 Glutamate racemase inhibitor 5-[5-but-2-ynyl-2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]-1-methylpyrrole-3-carbonitrile family
Superfamily CFSBM10119 Glutamate racemase Binder Superfamily
Class CFCBM808 Class 3858
External ID CHEMBL2087859 External Source CHEMBL
PubChem CID 70689044 Functional Category Bioactive
Molecule Name 5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-(4-hydroxybut-2-ynyl)-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]-1-methylpyrrole-3-carbonitrile
IUPAC Name 5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-(4-hydroxybut-2-ynyl)-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]-1-methylpyrrole-3-carbonitrile
Synonyms
InChi InChI=1S/C29H24ClN7O3/c1-34-15-19(14-31)12-24(34)26-25-27(33-37(26)17-20-8-9-32-23-7-6-21(30)13-22(20)23)36(16-18-4-5-18)29(40)35(28(25)39)10-2-3-11-38/h6-9,12-13,15,18,38H,4-5,10-11,16-17H2,1H3
InChiKey ANZYTOJJWDWJOR-UHFFFAOYSA-N
Formula C29H24ClN7O3 Molecular Weight 554.00
Cross Link CHEMBL2087859
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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