General Information of the Compound
| Compound ID |
CP0391878
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| Compound Name |
3-[[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]methyl-methylamino]propanoic acid
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| Structure |
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| Formula |
C26H24FN3O2S
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| Molecular Weight |
461.562
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| Canonical SMILES |
CN(CCC(O)=O)Cc1ccc(-c2nc3ccc(nc3s2)C2(CC2)c2ccccc2)c(F)c1
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| InChI |
InChI=1S/C26H24FN3O2S/c1-30(14-11-23(31)32)16-17-7-8-19(20(27)15-17)24-28-21-9-10-22(29-25(21)33-24)26(12-13-26)18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3,(H,31,32)
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| InChIKey |
FDVLTNXSLFZIGT-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01688, Sphingosine 1-phosphate receptor 1
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3