CFam Chemical Families Database
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You are searching for "CFAMM00472486" in compound.

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CFAM Mol ID CFAMM00472486
Family CFFBM24950 Lysophosphatidic acid receptor 1 and Lysophosphatidic acid receptor 3 ligand [(2R)-3-[4-[[4-(2-methoxyethoxy)pyridin-2-yl]methoxy]phenyl]-2-[[(Z)-octadec-9-enoyl]amino]propyl] dihydrogen phosphate family
Superfamily CFSBM5070 Beta-1 adrenergic receptor and Pol polyprotein Binder Superfamily
Class CFCID1099 Class 2449
External ID CHEMBL183221 External Source CHEMBL
PubChem CID 44392793 Functional Category Bioactive
Molecule Name [(2R)-2-[[(Z)-octadec-9-enoyl]amino]-3-[4-[[4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methoxy]phenyl]propyl] dihydrogen phosphate
IUPAC Name [(2R)-2-[[(Z)-octadec-9-enoyl]amino]-3-[4-[[4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methoxy]phenyl]propyl] dihydrogen phosphate
Synonyms CHEBI:406172
InChi InChI=1S/C35H52F3N2O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-34(41)40-31(27-47-48(42,43)44)24-29-18-20-32(21-19-29)45-26-30-25-33(22-23-39-30)46-28-35(36,37)38/h9-10,18-23,25,31H,2-8,11-17,24,26-28H2,1H3,(H,40,41)(H2,42,43,44)/b10-9-/t31-/m1/s1
InChiKey SPTAXSFFLMLIAF-HWNQJZBBSA-N
Formula C35H52F3N2O7P Molecular Weight 700.77
Cross Link CHEMBL183221
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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