CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00431945" 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 CFAMM00431945
Family CFFBM15051 Type-2 angiotensin II receptor and Type-1A angiotensin II receptor ligand SureCN9131686 family
Superfamily CFSID251 Renin Inhibitor Enalkiren Superfamily
Class CFCID176 Class 1526
External ID ZINC32124334 External Source ZINC
PubChem CID 39378196 Functional Category Natural Product
Molecule Name methyl (2S)-2-[[(4R)-4-(2-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-3-ium-5-carbonyl]amino]-3-phenylpropanoate
IUPAC Name methyl (2S)-2-[[(4R)-4-(2-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-3-ium-5-carbonyl]amino]-3-phenylpropanoate
Synonyms
InChi InChI=1S/C24H26N4O4/c1-31-20-11-7-6-10-17(20)22-21-18(25-15-26-21)12-13-28(22)24(30)27-19(23(29)32-2)14-16-8-4-3-5-9-16/h3-11,15,19,22H,12-14H2,1-2H3,(H,25,26)(H,27,30)/p+1/t19-,22+/m0/s1
InChiKey JUTSJPMJJCXQLC-SIKLNZKXSA-O
Formula C24H27N4O4+ Molecular Weight 435.50
Cross Link
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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