CFam Chemical Families Database
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You are searching for "CFAMM00050629" 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 CFAMM00050629
Family CFFAD317 Melatonin receptor type 1A Ligand Melatonin Family
Superfamily CFSAD271 Melatonin receptor type 1A Ligand Melatonin Superfamily
Class CFCAD24 Class 24
External ID CHEMBL487745 External Source CHEMBL
PubChem CID 42603616 Functional Category Bioactive
Molecule Name AGN-PC-0683XQ
IUPAC Name 2-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]-4-phenylpyrido[1,2-c]pyrimidine-1,3-dione
Synonyms CHEBI:623911;2-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]-4-phenylpyrido[1,2-c]pyrimidine-1,3-dione
InChi InChI=1S/C32H34N4O3/c1-39-25-12-13-28-26(21-25)27(22-33-28)23-14-19-34(20-15-23)16-7-8-18-36-31(37)30(24-9-3-2-4-10-24)29-11-5-6-17-35(29)32(36)38/h2-6,9-13,17,21-23,33H,7-8,14-16,18-20H2,1H3
InChiKey NZGBJCZOEMVMGI-UHFFFAOYSA-N
Formula C32H34N4O3 Molecular Weight 522.64
Cross Link CHEMBL487745
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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