General Information of the Compound
| Compound ID |
CP0914653
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| Compound Name |
2-methyl-N-[(6-methyl-4-methylsulfinyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)-4-piperidyl]ethyl]indole-3-carboxamide
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| Structure |
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| Formula |
C27H33F3N4O3S
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| Molecular Weight |
550.647
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| Canonical SMILES |
Cc1cc([S+](C)[O-])c(CNC(=O)c2c(C)n([C@H](C)C3CCN(CC(F)(F)F)CC3)c3ccccc23)c(=O)[nH]1
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| InChI |
InChI=1S/C27H33F3N4O3S/c1-16-13-23(38(4)37)21(25(35)32-16)14-31-26(36)24-18(3)34(22-8-6-5-7-20(22)24)17(2)19-9-11-33(12-10-19)15-27(28,29)30/h5-8,13,17,19H,9-12,14-15H2,1-4H3,(H,31,36)(H,32,35)/t17-,38?/m1/s1
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| InChIKey |
BTXLYXKGVHWKCE-RMMAMLODSA-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