General Information of the Compound
| Compound ID |
CP0411436
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| Compound Name |
4-(2-ethylbutyl)-N-[3-(4-fluorophenoxy)-5-(4-methylsulfonylphenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide
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| Structure |
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| Formula |
C31H37FN2O6S
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| Molecular Weight |
584.71
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| Canonical SMILES |
CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)S(C)(=O)=O)c1
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| InChI |
InChI=1S/C31H37FN2O6S/c1-4-22(5-2)21-31(36)14-16-34(17-15-31)30(35)33-24-18-27(39-25-8-6-23(32)7-9-25)20-28(19-24)40-26-10-12-29(13-11-26)41(3,37)38/h6-13,18-20,22,36H,4-5,14-17,21H2,1-3H3,(H,33,35)
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| InChIKey |
SBXWRRBHODFQNS-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: PT03925, Lysophosphatidic acid receptor 1
Protein ID: PT04536, Lysophosphatidic acid receptor 2
Protein ID: PT01837, Sphingosine 1-phosphate receptor 2
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3