CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00017680" 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 CFAMM00017680
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 CHEMBL560729 External Source CHEMBL
PubChem CID 49797599 Functional Category Bioactive
Molecule Name (2R,3R)-2-amino-N,N-dimethyl-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide;2,2,2-trifluoroacetic acid
IUPAC Name (2R,3R)-2-amino-N,N-dimethyl-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide;2,2,2-trifluoroacetic acid
Synonyms
InChi InChI=1S/C20H19F3N4O.C2HF3O2/c1-26(2)20(28)10-3-4-18-17(5-10)25-19-7-12(16(24)9-27(18)19)11-6-14(22)15(23)8-13(11)21;3-2(4,5)1(6)7/h3-6,8,12,16H,7,9,24H2,1-2H3;(H,6,7)/t12-,16+;/m1./s1
InChiKey YUDBBGKHTDJABU-KKJWGQAZSA-N
Formula C22H20F6N4O3 Molecular Weight 502.41
Cross Link CHEMBL560729
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
 

 

27038 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', 'CFAMM00017680'),None, txtsearch, CFAMM00017680|