CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00181240" 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 CFAMM00181240
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 DNC000092 External Source TTD
PubChem CID 4549 Functional Category Investigative Drug
Molecule Name 5-nitro-2-(3-phenylpropylamino) benzoic acid
IUPAC Name 5-nitro-2-(3-phenylpropylamino)benzoic acid
Synonyms 5-Nitro-2-(3-phenylpropylamino)benzoic acid;107254-86-4;5-nitro-2-[(3-phenylpropyl)amino]benzoic acid;Benzoic acid,5-nitro-2-[(3-phenylpropyl)amino]-;Benzoic acid, 5-nitro-2-((3-phenylpropyl)amino)-;Spectrum_001814;Tocris-0593;ACMC-20c9kv;AC1L1IEV;Spectrum2_001477
InChi InChI=1S/C16H16N2O4/c19-16(20)14-11-13(18(21)22)8-9-15(14)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,17H,4,7,10H2,(H,19,20)
InChiKey WBSMIPAMAXNXFS-UHFFFAOYSA-N
Formula C16H16N2O4 Molecular Weight 300.31
Cross Link CHEMBL1256759
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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