CFam Chemical Families Database
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You are searching for "CFAMM00049681" 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 CFAMM00049681
Family CFFAD317 Melatonin receptor type 1A Ligand Melatonin Family
Superfamily CFSAD271 Melatonin receptor type 1A Ligand Melatonin Superfamily
Class CFCAD24 Class 24
External ID CHEMBL457138 External Source CHEMBL
PubChem CID 25209861 Functional Category Bioactive
Molecule Name AGN-PC-050AUO
IUPAC Name N-[2-[5-methoxy-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]butanamide
Synonyms CHEBI:596632;N-[2-[5-methoxy-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]butanamide
InChi InChI=1S/C25H31N3O2/c1-4-7-25(29)26-13-12-20-21-15-19(30-3)10-11-22(21)27-23(20)16-28-17(2)14-18-8-5-6-9-24(18)28/h5-6,8-11,15,17,27H,4,7,12-14,16H2,1-3H3,(H,26,29)
InChiKey UXKNFYADPUMFHR-UHFFFAOYSA-N
Formula C25H31N3O2 Molecular Weight 405.53
Cross Link CHEMBL457138
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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