CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00374303" 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 CFAMM00374303
Family CFFBM6684 Acetylcholinesterase inhibitor AC1MIM21 family
Superfamily CFSBM36 Acetylcholinesterase Binder Superfamily 2
Class CFCCD39 Class 852
External ID CHEMBL159351 External Source CHEMBL
PubChem CID 3072953 Functional Category Bioactive
Molecule Name AC1MIM21
IUPAC Name N-[2-(1-benzylpiperidin-4-yl)ethylcarbamothioyl]-9,10-dioxoanthracene-2-carboxamide
Synonyms CHEBI:367873;N-[2-(1-benzylpiperidin-4-yl)ethylcarbamothioyl]-9,10-dioxoanthracene-2-carboxamide
InChi InChI=1S/C30H29N3O3S/c34-27-23-8-4-5-9-24(23)28(35)26-18-22(10-11-25(26)27)29(36)32-30(37)31-15-12-20-13-16-33(17-14-20)19-21-6-2-1-3-7-21/h1-11,18,20H,12-17,19H2,(H2,31,32,36,37)
InChiKey VHDFFGGLZGBTQV-UHFFFAOYSA-N
Formula C30H29N3O3S Molecular Weight 511.63
Cross Link CHEMBL159351
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
 

 

80828 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', 'CFAMM00374303'),None, txtsearch, CFAMM00374303|