CFam Chemical Families Database
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You are searching for "CFAMM00391100" 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 CFAMM00391100
Family CFFBM8865 Somatostatin receptor type 5 and Somatostatin receptor type 2 ligand AGN-PC-075HKY family
Superfamily CFSBM1564 Somatostatin receptor type 5 and Somatostatin receptor type 2 Binder Superfamily
Class CFCBM602 Class 3652
External ID CHEMBL363092 External Source CHEMBL
PubChem CID 44397389 Functional Category Bioactive
Molecule Name AGN-PC-075HFB
IUPAC Name 4-[3-[2-(6-fluoro-1H-indol-3-yl)ethylsulfanyl]-5-quinolin-2-yl-1,2,4-triazol-4-yl]butan-1-amine
Synonyms CHEBI:415156;4-[3-[2-(6-fluoro-1H-indol-3-yl)ethylsulfanyl]-5-quinolin-2-yl-1,2,4-triazol-4-yl]butan-1-amine
InChi InChI=1S/C25H25FN6S/c26-19-8-9-20-18(16-28-23(20)15-19)11-14-33-25-31-30-24(32(25)13-4-3-12-27)22-10-7-17-5-1-2-6-21(17)29-22/h1-2,5-10,15-16,28H,3-4,11-14,27H2
InChiKey NTRJRVNTUUCVPQ-UHFFFAOYSA-N
Formula C25H25FN6S Molecular Weight 460.57
Cross Link CHEMBL363092
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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