CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00181255" in compound.

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CFAM Mol ID CFAMM00181255
Family CFFID107 New permeability pathways Inhibitor 5-nitro-2-(3-phenylpropylamino) Benzoic Acid Family
Superfamily CFSAD676 Serum albumin Inhibitor Iodipamide Superfamily
Class CFCAD611 Class 611
External ID 22269854 External Source PubChem
PubChem CID 22269854 Functional Category Patent Compound
Molecule Name AGN-PC-03N4KG
IUPAC Name 5-nitro-2-[4-(2-phenylethyl)anilino]benzoic acid
Synonyms SureCN6484456;CHEMBL479455;Benzoic acid, 5-nitro-2-[[4-(2-phenylethyl)phenyl]amino]-
InChi InChI=1S/C21H18N2O4/c24-21(25)19-14-18(23(26)27)12-13-20(19)22-17-10-8-16(9-11-17)7-6-15-4-2-1-3-5-15/h1-5,8-14,22H,6-7H2,(H,24,25)
InChiKey CJEIRWQLNMMBHR-UHFFFAOYSA-N
Formula C21H18N2O4 Molecular Weight 362.38
Cross Link CHEMBL479455
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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