CFam Chemical Families Database
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You are searching for "CFAMM00402447" in compound.

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CFAM Mol ID CFAMM00402447
Family CFFBM10490 Sphingosine 1-phosphate receptor 1 ligand 6-[2-[4-phenyl-3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridin-6-yl]hexanoic acid family
Superfamily CFSBM2752 Sphingosine 1-phosphate receptor 1 and Aldose reductase Binder Superfamily
Class CFCCD181 Class 994
External ID CHEMBL1909964 External Source CHEMBL
PubChem CID 56839386 Functional Category Bioactive
Molecule Name 2-[4-[2-[4-[4-[4-[1-[2-(dimethylamino)-2-oxoethyl]pyridin-1-ium-4-yl]-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]phenyl]-5-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-1-ium-1-yl]-N,N-dimethylacetamide;dichloride
IUPAC Name 2-[4-[2-[4-[4-[4-[1-[2-(dimethylamino)-2-oxoethyl]pyridin-1-ium-4-yl]-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]phenyl]-5-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-1-ium-1-yl]-N,N-dimethylacetamide;dichloride
Synonyms AGN-PC-0BINQ7;2-[4-[2-[4-[4-[4-[1-[2-(dimethylamino)-2-oxoethyl]pyridin-1-ium-4-yl]-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]phenyl]-5-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-1-ium-1-yl]-N,N-dimethylacetamide;dichloride
InChi InChI=1S/C38H32F6N6O4.2ClH/c1-47(2)29(51)21-49-17-13-25(14-18-49)31-33(37(39,40)41)53-35(45-31)27-9-5-23(6-10-27)24-7-11-28(12-8-24)36-46-32(34(54-36)38(42,43)44)26-15-19-50(20-16-26)22-30(52)48(3)4;;/h5-20H,21-22H2,1-4H3;2*1H/q+2;;/p-2
InChiKey NKVSSXUDBIIZNZ-UHFFFAOYSA-L
Formula C38H32Cl2F6N6O4 Molecular Weight 821.59
Cross Link CHEMBL1909964
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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