General Information of the Compound
| Compound ID |
CP0398735
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| Compound Name |
N-[3-(4-cyanophenoxy)-5-(4-fluorophenoxy)phenyl]-4-(2-ethylbutyl)-4-hydroxypiperidine-1-carboxamide
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| Structure |
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| Formula |
C31H34FN3O4
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| Molecular Weight |
531.628
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| Canonical SMILES |
CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C#N)c1
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| InChI |
InChI=1S/C31H34FN3O4/c1-3-22(4-2)20-31(37)13-15-35(16-14-31)30(36)34-25-17-28(38-26-9-5-23(21-33)6-10-26)19-29(18-25)39-27-11-7-24(32)8-12-27/h5-12,17-19,22,37H,3-4,13-16,20H2,1-2H3,(H,34,36)
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| InChIKey |
UHMGNZAQAHNGRE-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