CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00016057" 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 CFAMM00016057
Family CFFAD73 Alpha adrenergic receptor ligand ergot alkaloid Dihydroergotamine Family
Superfamily CFSAD71 biogenic amine receptor binding ergot alkaloid Superfamily
Class CFCAD71 Class 71
External ID 54510433 External Source PubChem
PubChem CID 54510433 Functional Category Patent Compound
Molecule Name
IUPAC Name
Synonyms
InChi InChI=1S/C32H41N5O7S/c1-17(2)27-29(39)36-12-8-11-25(36)32(44-45(6,41)42)37(27)30(40)31(43-32,18(3)4)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,13,15,17-18,20,24-25,27,33H,8,11-12,14,16H2,1-6H3,(H,34,38)/t20-,24+,25+,27+,31-,32-/m1/s1
InChiKey YISKYTHCBYJWRC-UHYRYVKOSA-N
Formula C32H41N5O7S Molecular Weight 639.76
Cross Link
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
 

 

27649 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', 'CFAMM00016057'),None, txtsearch, CFAMM00016057|