CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00478085" 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.

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CFAM Mol ID CFAMM00478085
Family CFFBM26328 Histamine H1 receptor and Histamine H2 receptor ligand SureCN6781533 family
Superfamily CFSBM9846 Histamine H1 receptor and Histamine H2 receptor Binder Superfamily
Class CFCAD297 Class 297
External ID CHEMBL387390 External Source CHEMBL
PubChem CID 11329754 Functional Category Bioactive
Molecule Name SureCN6783913
IUPAC Name 2-[2-[4-[5-bromo-1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
Synonyms AGN-PC-006X1D;CHEBI:472929;2-[2-[4-[5-bromo-1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
InChi InChI=1S/C26H31BrN2O4/c1-2-32-15-14-29-18-23(22-17-20(27)7-8-24(22)29)19-9-11-28(12-10-19)13-16-33-25-6-4-3-5-21(25)26(30)31/h3-8,17-19H,2,9-16H2,1H3,(H,30,31)
InChiKey XADGZRXEEIMQPN-UHFFFAOYSA-N
Formula C26H31BrN2O4 Molecular Weight 515.44
Cross Link CHEMBL387390
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
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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