CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00172400" 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 CFAMM00172400
Family CFFCD820 Gonadotropin-releasing hormone Inhibitor ASP3550 Family
Superfamily CFSCD725 Gonadotropin-releasing hormone Inhibitor ASP3550 Superfamily
Class CFCCD167 Class 980
External ID CHEMBL2371522 External Source CHEMBL
PubChem CID 73347086 Functional Category Bioactive
Molecule Name CHEMBL2371522
IUPAC Name
Synonyms
InChi InChI=1S/C74H92Cl2N18O14/c1-40(2)31-53-67(102)88-52-26-29-81-64(99)54(33-42-15-20-48(75)21-16-42)85-61(96)25-24-51(66(101)86-50(65(100)89-53)12-7-28-82-74(78)79)87-71(106)58(37-62(97)83-39-59(63(77)98)93-72(107)60-13-8-30-94(60)73(52)108)92-70(105)57(36-45-9-6-27-80-38-45)91-69(104)56(34-43-17-22-49(76)23-18-43)90-68(103)55(84-41(3)95)35-44-14-19-46-10-4-5-11-47(46)32-44/h4-6,9-11,14-23,27,32,38,40,50-60H,7-8,12-13,24-26,28-31,33-37,39H2,1-3H3,(H2,77,98)(H,81,99)(H,83,97)(H,84,95)(H,85,96)(H,86,101)(H,87,106)(H,88,102)(H,89,100)(H,90,103)(H,91,104)(H,92,105)(H,93,107)(H4,78,79,82)/t50-,51+,52+,53+,54+,55-,56-,57-,58+,59+,60+/m1/s1
InChiKey BWIRLTFDQRYWIY-XPXMVXLFSA-N
Formula C74H92Cl2N18O14 Molecular Weight 1528.54
Cross Link CHEMBL2371522
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
 

 

27635 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', 'CFAMM00172400'),None, txtsearch, CFAMM00172400|