General Information of the Compound
| Compound ID |
CP0387270
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| Compound Name |
N-[3-(3-carbamoylphenoxy)-5-(4-fluorophenoxy)phenyl]-4-(2-ethylbutyl)-4-hydroxypiperidine-1-carboxamide
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| Structure |
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| Formula |
C31H36FN3O5
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| Molecular Weight |
549.643
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| Canonical SMILES |
CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2cccc(c2)C(N)=O)c1
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| InChI |
InChI=1S/C31H36FN3O5/c1-3-21(4-2)20-31(38)12-14-35(15-13-31)30(37)34-24-17-27(39-25-10-8-23(32)9-11-25)19-28(18-24)40-26-7-5-6-22(16-26)29(33)36/h5-11,16-19,21,38H,3-4,12-15,20H2,1-2H3,(H2,33,36)(H,34,37)
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| InChIKey |
XQIPJVCZJQBZLV-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