CFam Chemical Families Database
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You are searching for "CFAMM00414111" 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 CFAMM00414111
Family CFFBM12150 Bifunctional dihydrofolate reductase-thymidylate synthase inhibitor SureCN4846178 family
Superfamily CFSBM3769 Epidermal growth factor receptor and Receptor tyrosine-protein kinase erbB-2 Binder Superfamily
Class CFCID1605 Class 2955
External ID ZINC02241933 External Source ZINC
PubChem CID 6772264 Functional Category Natural Product
Molecule Name AC1O9U1B
IUPAC Name 6-[2-amino-5-(2-methoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(3-chlorophenyl)methoxy]cyclohexa-2,4-dien-1-one
Synonyms ZINC02241933;6-[2-amino-5-(2-methoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(3-chlorophenyl)methoxy]cyclohexa-2,4-dien-1-one
InChi InChI=1S/C25H22ClN3O3/c1-15-23(20-8-3-4-9-22(20)31-2)24(29-25(27)28-15)19-11-10-18(13-21(19)30)32-14-16-6-5-7-17(26)12-16/h3-13H,14H2,1-2H3,(H3,27,28,29)
InChiKey QBMQULTUMMPIQD-UHFFFAOYSA-N
Formula C25H22ClN3O3 Molecular Weight 447.91
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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