CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00245813" 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 CFAMM00245813
Family CFFID1669 Acetylcholinesterase Inhibitor 3-[2-(1-benzyl-piperidin-4-yl)-ethyl]-1h-indazole Family
Superfamily CFSID1291 Cytochrome P450 3A4 and Acetylcholinesterase Binder Superfamily
Class CFCCD13 Class 826
External ID CHEMBL1093821 External Source CHEMBL
PubChem CID 46886395 Functional Category Bioactive
Molecule Name 3-methyl-5-[4-methyl-3-[(E)-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]ethenyl]-1H-indazol-5-yl]aniline
IUPAC Name 3-methyl-5-[4-methyl-3-[(E)-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]ethenyl]-1H-indazol-5-yl]aniline
Synonyms CHEBI:723777
InChi InChI=1S/C29H33N5/c1-20-15-24(18-25(30)16-20)26-8-10-28-29(21(26)2)27(31-32-28)9-7-22-5-4-6-23(17-22)19-34-13-11-33(3)12-14-34/h4-10,15-18H,11-14,19,30H2,1-3H3,(H,31,32)/b9-7+
InChiKey FMMQGWSMYANLDD-VQHVLOKHSA-N
Formula C29H33N5 Molecular Weight 451.61
Cross Link CHEMBL1093821
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
 

 

26851 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', 'CFAMM00245813'),None, txtsearch, CFAMM00245813|