General Information of the Compound
| Compound ID |
CP0391739
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| Compound Name |
5-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pentanoic acid
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| Structure |
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| Formula |
C26H23FN2O2S
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| Molecular Weight |
446.547
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| Canonical SMILES |
OC(=O)CCCCc1ccc(-c2nc3ccc(nc3s2)C2(CC2)c2ccccc2)c(F)c1
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| InChI |
InChI=1S/C26H23FN2O2S/c27-20-16-17(6-4-5-9-23(30)31)10-11-19(20)24-28-21-12-13-22(29-25(21)32-24)26(14-15-26)18-7-2-1-3-8-18/h1-3,7-8,10-13,16H,4-6,9,14-15H2,(H,30,31)
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| InChIKey |
OPBQWGCTUZRNEP-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