CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00017879" 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 CFAMM00017879
Family CFFAD89 Vasopressin V1a receptor and Vasopressin V2 receptor Ligand benzazepine derivative
Superfamily CFSAD86 Vasopressin V1a receptor and Vasopressin V2 receptor Ligand Conivaptan Superfamily
Class CFCAD86 Class 86
External ID CHEMBL138305 External Source CHEMBL
PubChem CID 44359080 Functional Category Bioactive
Molecule Name AGN-PC-075O1F
IUPAC Name 2-[5-[2-[5-(1H-benzimidazol-2-ylamino)pentylamino]-2-oxoethyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]acetic acid
Synonyms CHEBI:330376;2-[5-[2-[5-(1H-benzimidazol-2-ylamino)pentylamino]-2-oxoethyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]acetic acid
InChi InChI=1S/C30H31N5O4/c36-27(31-16-8-1-9-17-32-30-33-24-13-5-6-14-25(24)34-30)19-35-26-15-7-4-11-21(26)23(18-28(37)38)20-10-2-3-12-22(20)29(35)39/h2-7,10-15,23H,1,8-9,16-19H2,(H,31,36)(H,37,38)(H2,32,33,34)
InChiKey INPCVLZXNPZINF-UHFFFAOYSA-N
Formula C30H31N5O4 Molecular Weight 525.60
Cross Link CHEMBL138305
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
 

 

27511 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', 'CFAMM00017879'),None, txtsearch, CFAMM00017879|