General Information of the Compound
| Compound ID |
CP0389006
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| Compound Name |
1-(3-fluoro-4-(5-(2-phenylpropan-2-yl)thiazolo[5,4-b]pyridin-2-yl)benzyl)azetidine-3-carboxylic 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 |
CC(C)(c1ccccc1)c1ccc2nc(sc2n1)-c1ccc(CN2CC(C2)C(O)=O)cc1F
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| InChI |
InChI=1S/C26H24FN3O2S/c1-26(2,18-6-4-3-5-7-18)22-11-10-21-24(29-22)33-23(28-21)19-9-8-16(12-20(19)27)13-30-14-17(15-30)25(31)32/h3-12,17H,13-15H2,1-2H3,(H,31,32)
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| InChIKey |
QUWSDCUDDZSZRI-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