General Information of the Compound
| Compound ID |
CP0408502
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| Compound Name |
3-(4-(5-(5-(1,1-difluoro-2-methylpropyl)pyridin-2-yl)-1,2,4-oxadiazol-3-yl)-3-methylphenyl)propanoic acid
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| Structure |
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| Formula |
C21H21F2N3O3
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| Molecular Weight |
401.413
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| Canonical SMILES |
CC(C)C(F)(F)c1ccc(nc1)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C
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| InChI |
InChI=1S/C21H21F2N3O3/c1-12(2)21(22,23)15-6-8-17(24-11-15)20-25-19(26-29-20)16-7-4-14(10-13(16)3)5-9-18(27)28/h4,6-8,10-12H,5,9H2,1-3H3,(H,27,28)
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| InChIKey |
MPJNTMGLPUJHMF-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: PT01837, Sphingosine 1-phosphate receptor 2
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3
Protein ID: PT01779, Sphingosine 1-phosphate receptor 4
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5