CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00130647" 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 CFAMM00130647
Family CFFCD44 Histidine decarboxylase Inhibitor Bf-derm1 Family
Superfamily CFSCD42 Histidine decarboxylase Inhibitor Bf-derm1 Superfamily
Class CFCCD36 Class 849
External ID CHEMBL164387 External Source CHEMBL
PubChem CID 44378676 Functional Category Bioactive
Molecule Name AGN-PC-0755QG
IUPAC Name N-[3-chloro-4-[9-(4-methylpiperazine-1-carbonyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]phenyl]-2-phenylbenzamide;2-hydroxypropane-1,2,3-tricarboxylic acid
Synonyms CHEBI:376412;N-[3-chloro-4-[9-(4-methylpiperazine-1-carbonyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]phenyl]-2-phenylbenzamide;2-hydroxypropane-1,2,3-tricarboxylic acid
InChi InChI=1S/C38H34ClN5O3.C6H8O7/c1-41-19-21-42(22-20-41)38(47)35-18-16-29-25-44(34-14-8-5-11-27(34)24-43(29)35)37(46)32-17-15-28(23-33(32)39)40-36(45)31-13-7-6-12-30(31)26-9-3-2-4-10-26;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-18,23H,19-22,24-25H2,1H3,(H,40,45);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChiKey NNNCWYSCDJPERM-UHFFFAOYSA-N
Formula C38H34ClN5O3.C6H8O7 Molecular Weight 836.28
Cross Link CHEMBL164387
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
 

 

74785 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', 'CFAMM00130647'),None, txtsearch, CFAMM00130647|