CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00072567" 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.

Search Results

CFAM Mol ID CFAMM00072567
Family CFFAD529 Prostaglandin G/H synthase 1 Inhibitor Mesalazine Family
Superfamily CFSAD459 Prostaglandin G/H synthase 1 Inhibitor Mesalazine Superfamily
Class CFCAD422 Class 422
External ID 506103 External Source PubChem
PubChem CID 506103 Functional Category Patent Compound
Molecule Name Benzoic Acid deriv. 184
IUPAC Name 3,5-bis(diaminomethylideneamino)benzoic acid
Synonyms AC1LA2MC;SureCN2000342;3,5-Diguanidino-benzoic acid;CHEMBL132225;3,5-di(2,2-diaminoimino)benzoate;3,5-bis(diaminomethyleneamino)benzoic acid;3,5-bis(diaminomethylideneamino)benzoic acid;Benzoic acid, 3,5-bis[(aminoiminomethyl)amino]-
InChi InChI=1S/C9H12N6O2/c10-8(11)14-5-1-4(7(16)17)2-6(3-5)15-9(12)13/h1-3H,(H,16,17)(H4,10,11,14)(H4,12,13,15)
InChiKey HKKDFSACEORKJG-UHFFFAOYSA-N
Formula C9H12N6O2 Molecular Weight 236.23
Cross Link CHEMBL132225
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
 

 

27523 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00072567'),None, txtsearch, CFAMM00072567|