CFam Chemical Families Database
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You are searching for "CFAMM00445957" 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 CFAMM00445957
Family CFFBM18140 Adenosine receptor A1 ligand BAS 00727702 family
Superfamily CFSCD103 Melanin-concentrating hormone receptor 1 Ligand NGD-4715 Superfamily
Class CFCAD377 Class 377
External ID CHEMBL222201 External Source CHEMBL
PubChem CID 5413153 Functional Category Bioactive
Molecule Name ST089451
IUPAC Name 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyridine-3-carbonitrile
Synonyms AC1NTWPU;ASN 00801656;Oprea1_059090;Oprea1_495130;CHEBI:468953;MolPort-000-006-691;ZINC19095802;AKOS000721511;2-Amino-4-(3-ethoxy-4-hydroxy-phenyl)-6-(4-hydroxy-phenyl)-nicotinonitrile
InChi InChI=1S/C20H17N3O3/c1-2-26-19-9-13(5-8-18(19)25)15-10-17(23-20(22)16(15)11-21)12-3-6-14(24)7-4-12/h3-10,24-25H,2H2,1H3,(H2,22,23)
InChiKey IWPRRVSKUNQSTO-UHFFFAOYSA-N
Formula C20H17N3O3 Molecular Weight 347.37
Cross Link CHEMBL222201
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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