CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00187550" 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 CFAMM00187550
Family CFFID325 Vasopressin V2 receptor Ligand FR161282 Family
Superfamily CFSID264 Vasopressin V2 receptor and Telomerase reverse transcriptase Binder Superfamily
Class CFCAD252 Class 252
External ID CHEMBL2021477 External Source CHEMBL
PubChem CID 70683404 Functional Category Bioactive
Molecule Name 11-[2-[[(1S,2S)-2-(dimethylamino)cyclohexyl]-methylamino]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one;oxalic acid
IUPAC Name 11-[2-[[(1S,2S)-2-(dimethylamino)cyclohexyl]-methylamino]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one;oxalic acid
Synonyms
InChi InChI=1S/C24H30N4O2.2C2H2O4/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28;2*3-1(4)2(5)6/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30);2*(H,3,4)(H,5,6)/t21-,22-;;/m0../s1
InChiKey HRTBCTVVOSBTBF-IXOXMDGESA-N
Formula C28H34N4O10 Molecular Weight 586.59
Cross Link CHEMBL2021477
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
 

 

27425 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', 'CFAMM00187550'),None, txtsearch, CFAMM00187550|