CFam Chemical Families Database
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You are searching for "CFAMM00242195" in compound.

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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 CFAMM00242195
Family CFFID1545 Histamine H3 receptor Ligand A-349821 Family
Superfamily CFSID1202 Caspase-3 and Histamine H3 receptor Binder Superfamily
Class CFCCD80 Class 893
External ID CHEMBL94707 External Source CHEMBL
PubChem CID 461077 Functional Category Bioactive
Molecule Name Tertiary Amide deriv. 62
IUPAC Name 2-[4-[2-[(1-ethylcyclopentyl)-(2-hydroxyethyl)carbamoyl]phenyl]-2-hydroxybutyl]-N-(2-hydroxyethyl)-5-methyl-N-[2-[4-(2-morpholin-4-ylethoxy)phenyl]propan-2-yl]benzamide
Synonyms AC1LA3K9;2-[4-[2-[(1-ethylcyclopentyl)-(2-hydroxyethyl)carbamoyl]phenyl]-2-hydroxybutyl]-N-(2-hydroxyethyl)-5-methyl-N-[2-[4-(2-morpholin-4-ylethoxy)phenyl]propan-2-yl]benzamide;N-(1-Ethylcyclopentyl)-N-(2-hydroxyethyl)-2-[3-hydroxy-4-[2-[[2-hydroxyethyl)[1-methyl-1-[4-(morpholin-4-yl-ethoxy)phenyl]ethyl]carbamoyl]-4-methylphenyl]butyl]benzamide
InChi InChI=1S/C45H63N3O7/c1-5-45(20-8-9-21-45)48(23-28-50)42(52)40-11-7-6-10-35(40)14-17-38(51)33-36-13-12-34(2)32-41(36)43(53)47(22-27-49)44(3,4)37-15-18-39(19-16-37)55-31-26-46-24-29-54-30-25-46/h6-7,10-13,15-16,18-19,32,38,49-51H,5,8-9,14,17,20-31,33H2,1-4H3
InChiKey XGJBWTYWJMOKBK-UHFFFAOYSA-N
Formula C45H63N3O7 Molecular Weight 758.00
Cross Link CHEMBL94707
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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