CFam Chemical Families Database
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You are searching for "CFAMM00449019" in compound.

Total 1 results found.

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 CFAMM00449019
Family CFFBM18752 Glutamate receptor ionotropic, NMDA 2B ligand SureCN8345160 family
Superfamily CFSBM7397 Estrogen receptor and Estrogen receptor beta Binder Superfamily 23
Class CFCID1398 Class 2748
External ID CHEMBL1934445 External Source CHEMBL
PubChem CID 57401373 Functional Category Bioactive
Molecule Name 4-(4-cyanophenyl)-1-[[5-(hydroxymethyl)pyridin-3-yl]methyl]-2,5-dimethylpyrrole-3-carbonitrile
IUPAC Name 4-(4-cyanophenyl)-1-[[5-(hydroxymethyl)pyridin-3-yl]methyl]-2,5-dimethylpyrrole-3-carbonitrile
Synonyms AGN-PC-0BSOMH;4-(4-cyanophenyl)-1-[[5-(hydroxymethyl)pyridin-3-yl]methyl]-2,5-dimethylpyrrole-3-carbonitrile
InChi InChI=1S/C21H18N4O/c1-14-20(9-23)21(19-5-3-16(8-22)4-6-19)15(2)25(14)12-17-7-18(13-26)11-24-10-17/h3-7,10-11,26H,12-13H2,1-2H3
InChiKey RIFOOQKXMRKWKZ-UHFFFAOYSA-N
Formula C21H18N4O Molecular Weight 342.39
Cross Link CHEMBL1934445
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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