CFam Chemical Families Database
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You are searching for "CFAMM00430397" 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 CFAMM00430397
Family CFFBM14805 Gastrin/cholecystokinin type B receptor and Cholecystokinin receptor type A ligand SureCN7955432 family
Superfamily CFSBM2127 Cholecystokinin receptor type A and Gastrin/cholecystokinin type B receptor Binder Superfamily 2
Class CFCID1116 Class 2466
External ID CHEMBL285921 External Source CHEMBL
PubChem CID 10484212 Functional Category Bioactive
Molecule Name AGN-PC-0A56WL
IUPAC Name 1-[1-[2-(3-azabicyclo[3.2.2]nonan-3-yl)-2-oxoethyl]-5-(2-fluorophenyl)-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-[3-(2H-tetrazol-5-yl)phenyl]urea
Synonyms SureCN7547102;CHEBI:148083;L015941;1-[(3S)-1-[2-(3-azabicyclo[3.2.2]nonan-3-yl)-2-oxoethyl]-5-(2-fluorophenyl)-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-[3-(2H-tetrazol-5-yl)phenyl]urea
InChi InChI=1S/C34H34FN9O3/c1-20-6-4-10-26-29(25-9-2-3-11-27(25)35)37-32(38-34(47)36-24-8-5-7-23(16-24)31-39-41-42-40-31)33(46)44(30(20)26)19-28(45)43-17-21-12-13-22(18-43)15-14-21/h2-11,16,21-22,32H,12-15,17-19H2,1H3,(H2,36,38,47)(H,39,40,41,42)
InChiKey ROLRUNMSDPGQLT-UHFFFAOYSA-N
Formula C34H34FN9O3 Molecular Weight 635.69
Cross Link CHEMBL285921
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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