CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00438021" 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.

Search Results

CFAM Mol ID CFAMM00438021
Family CFFBM16398 Histamine H3 receptor ligand AGN-PC-075YVW family
Superfamily CFSBM5865 Beta-lactamase and Histamine H3 receptor Binder Superfamily 8
Class CFCBM1885 Class 4935
External ID ZINC40309081 External Source ZINC
PubChem CID 51974435 Functional Category Natural Product
Molecule Name 4-[[(4S)-4-(4-bromophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
IUPAC Name 4-[[(4S)-4-(4-bromophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
Synonyms
InChi InChI=1S/C20H17BrN4O3/c21-14-5-1-12(2-6-14)18-17-16(22-11-23-17)9-10-25(18)20(28)24-15-7-3-13(4-8-15)19(26)27/h1-8,11,18H,9-10H2,(H,22,23)(H,24,28)(H,26,27)/p-1/t18-/m0/s1
InChiKey NWUBMHUCKNNHDZ-SFHVURJKSA-M
Formula C20H16BrN4O3- Molecular Weight 440.27
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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