General Information of the Compound
| Compound ID |
CP0922321
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| Compound Name |
(R)-2-methyl-N-((6-methyl-2-oxo-4-(phenylthio)-1,2-dihydropyridin-3-yl)methyl)-1-(1-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)ethyl)-1H-indole-3-carboxamide
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| Structure |
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| Formula |
C32H35F3N4O2S
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| Molecular Weight |
596.719
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| Canonical SMILES |
Cc1cc(Sc2ccccc2)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/C32H35F3N4O2S/c1-20-17-28(42-24-9-5-4-6-10-24)26(30(40)37-20)18-36-31(41)29-22(3)39(27-12-8-7-11-25(27)29)21(2)23-13-15-38(16-14-23)19-32(33,34)35/h4-12,17,21,23H,13-16,18-19H2,1-3H3,(H,36,41)(H,37,40)/t21-/m1/s1
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| InChIKey |
LSKAFZLUXFUKFY-OAQYLSRUSA-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