CFam Chemical Families Database
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You are searching for "CFAMM00416723" 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 CFAMM00416723
Family CFFBM12537 Xanthine dehydrogenase/oxidase inhibitor 5-(2-amino-4-oxo-1H-pyrimidin-6-yl)-2-(cyclohexylmethoxy)benzonitrile family
Superfamily CFSCD599 SB1518 Superfamily
Class CFCCD18 Class 831
External ID ZINC02345177 External Source ZINC
PubChem CID 6774922 Functional Category Natural Product
Molecule Name AC1O9VH8
IUPAC Name 6-[2-amino-5-(4-methoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one
Synonyms ZINC02345177;6-[2-amino-5-(4-methoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one
InChi InChI=1S/C25H22FN3O3/c1-15-23(17-5-9-19(31-2)10-6-17)24(29-25(27)28-15)21-12-11-20(13-22(21)30)32-14-16-3-7-18(26)8-4-16/h3-13H,14H2,1-2H3,(H3,27,28,29)
InChiKey WEYOONWNILXGSZ-UHFFFAOYSA-N
Formula C25H22FN3O3 Molecular Weight 431.46
Cross Link
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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