CFam Chemical Families Database
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You are searching for "CFAMM00039379" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00039379
Family CFFAD222 Omega 1 Benzodiazepine receptor Ligand Zaleplon Family
Superfamily CFSAD202 Omega 1 Benzodiazepine receptor Ligand Zaleplon Superfamily
Class CFCAD195 Class 195
External ID CHEMBL398718 External Source CHEMBL
PubChem CID 17968234 Functional Category Bioactive
Molecule Name AGN-PC-01ND4X
IUPAC Name 7-cyclohexyl-6-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile
Synonyms SureCN4151123;CHEBI:517146;7-cyclohexyl-6-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile
InChi InChI=1S/C25H30N6/c1-29-11-13-30(14-12-29)21-9-7-19(8-10-21)15-23-16-20-18-27-24(17-26)28-25(20)31(23)22-5-3-2-4-6-22/h7-10,16,18,22H,2-6,11-15H2,1H3
InChiKey IBCATTULRMKVPF-UHFFFAOYSA-N
Formula C25H30N6 Molecular Weight 414.55
Cross Link CHEMBL398718
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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