General Information of the Compound
| Compound ID |
CP0392476
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| Compound Name |
(2R)-2-amino-4-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]anilino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C25H21FN4O3S
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| Molecular Weight |
476.533
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| Canonical SMILES |
N[C@H](CC(=O)Nc1ccc(-c2nc3ccc(nc3s2)C2(CC2)c2ccccc2)c(F)c1)C(O)=O
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| InChI |
InChI=1S/C25H21FN4O3S/c26-17-12-15(28-21(31)13-18(27)24(32)33)6-7-16(17)22-29-19-8-9-20(30-23(19)34-22)25(10-11-25)14-4-2-1-3-5-14/h1-9,12,18H,10-11,13,27H2,(H,28,31)(H,32,33)/t18-/m1/s1
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| InChIKey |
HVYSRLPOSBCBIE-GOSISDBHSA-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