CFam Chemical Families Database
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You are searching for "CFAMM00317381" in compound.

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CFAM Mol ID CFAMM00317381
Family CFFBM922 Orexin receptor type 1 and Orexin receptor type 2 ligand AGN-PC-07ZC2O family
Superfamily CFSBM298 P2X purinoceptor 7 and Orexin receptor type 2 Binder Superfamily
Class CFCAD96 Class 96
External ID CHEMBL2087861 External Source CHEMBL
PubChem CID 70684821 Functional Category Bioactive
Molecule Name 5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-ethyl-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-ethyl-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]-1-methylpyrrole-3-carbonitrile
Synonyms
InChi InChI=1S/C27H24ClN7O2/c1-3-33-26(36)23-24(22-10-17(12-29)13-32(22)2)35(31-25(23)34(27(33)37)14-16-4-5-16)15-18-8-9-30-21-7-6-19(28)11-20(18)21/h6-11,13,16H,3-5,14-15H2,1-2H3
InChiKey PHPOYRSDMVAPJM-UHFFFAOYSA-N
Formula C27H24ClN7O2 Molecular Weight 513.98
Cross Link CHEMBL2087861
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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