CFam Chemical Families Database
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You are searching for "CFAMM00416701" in compound.

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CFAM Mol ID CFAMM00416701
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 ZINC02217049 External Source ZINC
PubChem CID 6771638 Functional Category Natural Product
Molecule Name 6-[2-amino-5-phenyl-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-methoxycyclohexa-2,4-dien-1-one
IUPAC Name 6-[2-amino-5-phenyl-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-methoxycyclohexa-2,4-dien-1-one
Synonyms AC1O9TB3;6-[2-amino-5-phenyl-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-methoxycyclohexa-2,4-dien-1-one
InChi InChI=1S/C18H14F3N3O2/c1-26-11-7-8-12(13(25)9-11)15-14(10-5-3-2-4-6-10)16(18(19,20)21)24-17(22)23-15/h2-9H,1H3,(H3,22,23,24)
InChiKey OFJZIGLJZFSDOR-UHFFFAOYSA-N
Formula C18H14F3N3O2 Molecular Weight 361.32
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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