CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00397973" 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 CFAMM00397973
Family CFFBM9778 CGMP-dependent protein kinase inhibitor AGN-PC-075XJ0 family
Superfamily CFSID453 Gp29 Inhibitor Tmpyp4 Superfamily
Class CFCID316 Class 1666
External ID CHEMBL197980 External Source CHEMBL
PubChem CID 44404375 Functional Category Bioactive
Molecule Name AGN-PC-075XJ0
IUPAC Name 1-ethoxy-3-[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidin-1-yl]propan-2-ol
Synonyms CHEBI:430244;1-ethoxy-3-[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidin-1-yl]propan-2-ol
InChi InChI=1S/C25H30FN3O2/c1-2-31-17-22(30)16-29-13-9-19(10-14-29)24-15-23(18-7-11-27-12-8-18)25(28-24)20-3-5-21(26)6-4-20/h3-8,11-12,15,19,22,28,30H,2,9-10,13-14,16-17H2,1H3
InChiKey XISSKUCOTAAYKE-UHFFFAOYSA-N
Formula C25H30FN3O2 Molecular Weight 423.52
Cross Link CHEMBL197980
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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