CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00028058" 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 CFAMM00028058
Family CFFAD161 Reverse transcriptase Inhibitor Nevirapine Family
Superfamily CFSAD150 Reverse transcriptase Inhibitor Nevirapine Superfamily
Class CFCAD148 Class 148
External ID CHEMBL442014 External Source CHEMBL
PubChem CID 14939891 Functional Category Bioactive
Molecule Name 11-[2-[6-[methyl-[8-[methyl-[6-[[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]hexyl]amino]octyl]amino]hexylamino]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
IUPAC Name 11-[2-[6-[methyl-[8-[methyl-[6-[[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]hexyl]amino]octyl]amino]hexylamino]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Synonyms AGN-PC-00322G;11-[2-[6-[methyl-[8-[methyl-[6-[[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]hexyl]amino]octyl]amino]hexylamino]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
InChi InChI=1S/C50H68N10O4/c1-57(35-19-9-5-15-29-51-37-45(61)59-43-27-13-11-23-39(43)49(63)55-41-25-21-31-53-47(41)59)33-17-7-3-4-8-18-34-58(2)36-20-10-6-16-30-52-38-46(62)60-44-28-14-12-24-40(44)50(64)56-42-26-22-32-54-48(42)60/h11-14,21-28,31-32,51-52H,3-10,15-20,29-30,33-38H2,1-2H3,(H,55,63)(H,56,64)
InChiKey QBIRETGBCIAZCS-UHFFFAOYSA-N
Formula C50H68N10O4 Molecular Weight 873.14
Cross Link CHEMBL442014
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
 

 

27620 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', 'CFAMM00028058'),None, txtsearch, CFAMM00028058|