CFam Chemical Families Database
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You are searching for "CFAMM00376009" in compound.

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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 CFAMM00376009
Family CFFBM6948 cAMP-specific 3',5'-cyclic phosphodiesterase 4A inhibitor SureCN7906644 family
Superfamily CFSBM1360 Beta-secretase 1 and Beta-secretase 2 Binder Superfamily 4
Class CFCAD513 Class 513
External ID CHEMBL166245 External Source CHEMBL
PubChem CID 44377130 Functional Category Bioactive
Molecule Name AGN-PC-0754TW
IUPAC Name 1-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]pyridin-2-yl]-3-ethylurea
Synonyms CHEBI:372597;1-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]pyridin-2-yl]-3-ethylurea
InChi InChI=1S/C23H22F4N4O4/c1-2-28-23(32)30-20-6-4-16(13-29-20)17(11-14-7-9-31(33)10-8-14)15-3-5-18(34-21(24)25)19(12-15)35-22(26)27/h3-10,12-13,17,21-22H,2,11H2,1H3,(H2,28,29,30,32)
InChiKey GQKNIAQETLRCON-UHFFFAOYSA-N
Formula C23H22F4N4O4 Molecular Weight 494.44
Cross Link CHEMBL166245
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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