General Information of the Compound
| Compound ID |
CP0453554
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| Compound Name |
2-(3,5-bis(trifluoromethyl)phenyl)-N-(6-(4-hydroxypiperidin-1-yl)-4-o-tolylpyridin-3-yl)-N,2-dimethylpropanamide
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| Structure |
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| Formula |
C30H31F6N3O2
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| Molecular Weight |
579.585
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| Canonical SMILES |
CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)N1CCC(O)CC1
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| InChI |
InChI=1S/C30H31F6N3O2/c1-18-7-5-6-8-23(18)24-16-26(39-11-9-22(40)10-12-39)37-17-25(24)38(4)27(41)28(2,3)19-13-20(29(31,32)33)15-21(14-19)30(34,35)36/h5-8,13-17,22,40H,9-12H2,1-4H3
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| InChIKey |
AYAQLUKQULPJEX-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