CFam Chemical Families Database
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You are searching for "CFAMM00167441" in compound.

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CFAM Mol ID CFAMM00167441
Family CFFCD658 AP26113 family
Superfamily CFSCD588 AP26113 Superfamily
Class CFCCD236 Class 1049
External ID CHEMBL458660 External Source CHEMBL
PubChem CID 44581766 Functional Category Bioactive
Molecule Name AGN-PC-077N7D
IUPAC Name 4-N-(2,3-dihydro-1H-indol-7-yl)-2-N-[2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Synonyms CHEBI:596360;KB-270422;1123163-10-9;4-N-(2,3-dihydro-1H-indol-7-yl)-2-N-[2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine,n4-(2,3-dihydro-1h-indol-7-yl)-n2-[2-methoxy-4-[4-(1-methylethyl)-1-piperazinyl]phenyl]-
InChi InChI=1S/C28H34N8O/c1-18(2)35-13-15-36(16-14-35)20-7-8-22(24(17-20)37-3)32-28-33-26-21(10-12-30-26)27(34-28)31-23-6-4-5-19-9-11-29-25(19)23/h4-8,10,12,17-18,29H,9,11,13-16H2,1-3H3,(H3,30,31,32,33,34)
InChiKey WQXINTAFZSVSHG-UHFFFAOYSA-N
Formula C28H34N8O Molecular Weight 498.62
Cross Link CHEMBL458660
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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