CFam Chemical Families Database
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You are searching for "CFAMM00250769" 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 CFAMM00250769
Family CFFID1793 Cholecystokinin receptor type A Ligand L-708474 Family
Superfamily CFSID1378 Cholecystokinin receptor type A Ligand L-708474 Superfamily
Class CFCID306 Class 1656
External ID CHEMBL285850 External Source CHEMBL
PubChem CID 10009450 Functional Category Bioactive
Molecule Name SureCN7955432
IUPAC Name 1-[1-[2-(3-azabicyclo[3.2.2]nonan-3-yl)-2-oxoethyl]-9-ethyl-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-[3-(2H-tetrazol-5-yl)phenyl]urea
Synonyms CHEBI:147539
InChi InChI=1S/C35H36FN9O3/c1-2-23-7-6-11-27-30(26-10-3-4-12-28(26)36)38-33(39-35(48)37-25-9-5-8-24(17-25)32-40-42-43-41-32)34(47)45(31(23)27)20-29(46)44-18-21-13-14-22(19-44)16-15-21/h3-12,17,21-22,33H,2,13-16,18-20H2,1H3,(H2,37,39,48)(H,40,41,42,43)
InChiKey FIVXECIRGRXOPV-UHFFFAOYSA-N
Formula C35H36FN9O3 Molecular Weight 649.72
Cross Link CHEMBL285850
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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