General Information of the Compound
| Compound ID |
CP0558225
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| Compound Name |
N-[3,5-dichloro-4-(6-methoxy-5-propan-2-ylpyridin-3-yl)oxyphenyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide
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| Structure |
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| Formula |
C23H29Cl2N3O5S
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| Molecular Weight |
530.474
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| Canonical SMILES |
COc1ncc(Oc2c(Cl)cc(NC(=O)CC3CCN(CC3)S(C)(=O)=O)cc2Cl)cc1C(C)C
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| InChI |
InChI=1S/C23H29Cl2N3O5S/c1-14(2)18-12-17(13-26-23(18)32-3)33-22-19(24)10-16(11-20(22)25)27-21(29)9-15-5-7-28(8-6-15)34(4,30)31/h10-15H,5-9H2,1-4H3,(H,27,29)
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| InChIKey |
CMWKFXBFRJPOBS-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: PT02663, Nuclear receptor ROR-gamma
Protein ID: PT05439, Nuclear receptor ROR-gamma