General Information of the Compound
| Compound ID |
CP0411434
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| Compound Name |
4-(2-ethylbutyl)-N-[3-(4-fluorophenoxy)-5-pyridin-2-yloxyphenyl]-4-hydroxypiperidine-1-carboxamide
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| Structure |
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| Formula |
C29H34FN3O4
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| Molecular Weight |
507.606
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| Canonical SMILES |
CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccccn2)c1
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| InChI |
InChI=1S/C29H34FN3O4/c1-3-21(4-2)20-29(35)12-15-33(16-13-29)28(34)32-23-17-25(36-24-10-8-22(30)9-11-24)19-26(18-23)37-27-7-5-6-14-31-27/h5-11,14,17-19,21,35H,3-4,12-13,15-16,20H2,1-2H3,(H,32,34)
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| InChIKey |
GQXAQOPTSBSULA-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