CFam Chemical Families Database
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You are searching for "CFAMM00290469" 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 CFAMM00290469
Family CFFID3399 Type-2 angiotensin II receptor Ligand L-158809 Family
Superfamily CFSID139 Tryptase and Adenosine receptor A1 Binder Superfamily
Class CFCAD667 Class 667
External ID CHEMBL180058 External Source CHEMBL
PubChem CID 21103119 Functional Category Bioactive
Molecule Name quinoxaline 16f
IUPAC Name 3-[1-[[4-[7-(2-methyltetrazol-5-yl)-3-phenylquinoxalin-2-yl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
Synonyms AGN-PC-035UTT;SureCN5363861;3-[1-[[4-[7-(2-methyltetrazol-5-yl)-3-phenylquinoxalin-2-yl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
InChi InChI=1S/C35H31N9O/c1-42-40-34(39-41-42)26-15-16-28-30(21-26)37-33(32(36-28)24-7-3-2-4-8-24)25-13-11-23(12-14-25)22-43-19-17-27(18-20-43)44-31-10-6-5-9-29(31)38-35(44)45/h2-16,21,27H,17-20,22H2,1H3,(H,38,45)
InChiKey IJORQFLBQKXKHJ-UHFFFAOYSA-N
Formula C35H31N9O Molecular Weight 593.68
Cross Link CHEMBL180058
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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