CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00411455" 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 CFAMM00411455
Family CFFBM11728 ALK tyrosine kinase receptor ligand N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]pyridine-4-carboxamide family
Superfamily CFSBM216 Oxytocin receptor and Histamine H3 receptor Binder Superfamily
Class CFCCD193 Class 1006
External ID CHEMBL2172318 External Source CHEMBL
PubChem CID 60195913 Functional Category Bioactive
Molecule Name N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]pyridine-3-carboxamide
IUPAC Name N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]pyridine-3-carboxamide
Synonyms SureCN572316;SureCN572318;SureCN572319;AGN-PC-0DB7H1;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]pyridine-3-carboxamide
InChi InChI=1S/C32H44N6O3/c1-21(2)34-29(39)23-8-10-26(11-9-23)38-28-18-22(20-37-16-13-25(14-17-37)32(3,4)41)7-12-27(28)35-31(38)36-30(40)24-6-5-15-33-19-24/h5-7,12,15,18-19,21,23,25-26,41H,8-11,13-14,16-17,20H2,1-4H3,(H,34,39)(H,35,36,40)/t23-,26+
InChiKey GPMBDSSSJOAMQC-VJXHGUGDSA-N
Formula C32H44N6O3 Molecular Weight 560.73
Cross Link CHEMBL2172318
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
 

 

27670 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', 'CFAMM00411455'),None, txtsearch, CFAMM00411455|