CFam Chemical Families Database
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You are searching for "CFAMM00423941" 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 CFAMM00423941
Family CFFBM13738 Rho-associated protein kinase 2 inhibitor 2-hydroxyethyl 3-[2-(aminomethyl)-5-[(3-fluoropyridin-4-yl)carbamoyl]phenyl]benzoate family
Superfamily CFSBM3844 Caspase-1 and Cytochrome P450 3A4 Binder Superfamily
Class CFCAD137 Class 137
External ID CHEMBL2440735 External Source CHEMBL
PubChem CID 71135746 Functional Category Bioactive
Molecule Name 2-hydroxyethyl 3-[2-(aminomethyl)-5-[(3-fluoropyridin-4-yl)carbamoyl]phenyl]benzoate
IUPAC Name 2-hydroxyethyl 3-[2-(aminomethyl)-5-[(3-fluoropyridin-4-yl)carbamoyl]phenyl]benzoate
Synonyms SureCN14315847
InChi InChI=1S/C22H20FN3O4/c23-19-13-25-7-6-20(19)26-21(28)15-4-5-17(12-24)18(11-15)14-2-1-3-16(10-14)22(29)30-9-8-27/h1-7,10-11,13,27H,8-9,12,24H2,(H,25,26,28)
InChiKey OFEAPRLJSLGEFJ-UHFFFAOYSA-N
Formula C22H20FN3O4 Molecular Weight 409.41
Cross Link CHEMBL2440735
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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