CFam Chemical Families Database
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You are searching for "CFAMM00214930" 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 CFAMM00214930
Family CFFID596 Histamine H3 receptor Ligand A-317920 Family
Superfamily CFSID489 Histamine H3 receptor Ligand A-317920 Superfamily
Class CFCID341 Class 1691
External ID CHEMBL302194 External Source CHEMBL
PubChem CID 44303515 Functional Category Bioactive
Molecule Name AGN-PC-074CBT
IUPAC Name 2-adamantyl N-[3-[2-(dimethylcarbamoyl)-1-benzofuran-3-yl]-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
Synonyms CHEBI:195944;2-adamantyl N-[3-[2-(dimethylcarbamoyl)-1-benzofuran-3-yl]-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
InChi InChI=1S/C34H41N3O5/c1-34(32(39)35-14-13-21-9-5-4-6-10-21,20-27-26-11-7-8-12-28(26)41-30(27)31(38)37(2)3)36-33(40)42-29-24-16-22-15-23(18-24)19-25(29)17-22/h4-12,22-25,29H,13-20H2,1-3H3,(H,35,39)(H,36,40)
InChiKey DVHBFKHWEWARFA-UHFFFAOYSA-N
Formula C34H41N3O5 Molecular Weight 571.71
Cross Link CHEMBL302194
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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