CFam Chemical Families Database
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You are searching for "CFAMM00183065" 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 CFAMM00183065
Family CFFID175 5-hydroxytryptamine receptor Ligand Bay X3702 Family
Superfamily CFSAD555 ATP-sensitive inward rectifier potassium channel 10 Ligand Gliquidone Superfamily
Class CFCAD511 Class 511
External ID CHEMBL54089 External Source CHEMBL
PubChem CID 44296023 Functional Category Bioactive
Molecule Name AGN-PC-073RXC
IUPAC Name 2-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]propyl]isoindole-1,3-dione;oxalic acid
Synonyms CHEBI:178407;2-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]propyl]isoindole-1,3-dione;oxalic acid
InChi InChI=1S/C24H28N2O4.C2H2O4/c1-3-12-25(17-15-20-21(29-2)10-6-11-22(20)30-16-17)13-7-14-26-23(27)18-8-4-5-9-19(18)24(26)28;3-1(4)2(5)6/h4-6,8-11,17H,3,7,12-16H2,1-2H3;(H,3,4)(H,5,6)
InChiKey HPGJAAUNPHKECF-UHFFFAOYSA-N
Formula C24H28N2O4.C2H2O4 Molecular Weight 498.52
Cross Link CHEMBL54089
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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