CFam Chemical Families Database
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You are searching for "CFAMM00243476" 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 CFAMM00243476
Family CFFID1574 Alpha-1A adrenergic receptor Ligand SNAP-6201 Family
Superfamily CFSCD10 Integrin alpha-4 Inhibitor R1295 Superfamily
Class CFCCD7 Class 820
External ID CHEMBL72606 External Source CHEMBL
PubChem CID 11330279 Functional Category Bioactive
Molecule Name 3-[(2R)-2-amino-2-phenylethyl]-1-(cyclohexylmethyl)-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione;2,2,2-trifluoroacetic acid
IUPAC Name 3-[(2R)-2-amino-2-phenylethyl]-1-(cyclohexylmethyl)-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione;2,2,2-trifluoroacetic acid
Synonyms CHEBI:216584
InChi InChI=1S/C26H30FN3O2.C2HF3O2/c1-18-24(21-14-8-9-15-22(21)27)25(31)30(17-23(28)20-12-6-3-7-13-20)26(32)29(18)16-19-10-4-2-5-11-19;3-2(4,5)1(6)7/h3,6-9,12-15,19,23H,2,4-5,10-11,16-17,28H2,1H3;(H,6,7)/t23-;/m0./s1
InChiKey FAYYSMVNGICYHJ-BQAIUKQQSA-N
Formula C26H30FN3O2.C2HF3O2 Molecular Weight 549.56
Cross Link CHEMBL72606
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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