General Information of the Compound
| Compound ID |
CP0944491
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| Compound Name |
(R)-N-((4-(benzylthio)-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-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 |
C33H37F3N4O2S
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| Molecular Weight |
610.746
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| Canonical SMILES |
Cc1cc(SCc2ccccc2)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/C33H37F3N4O2S/c1-21-17-29(43-19-24-9-5-4-6-10-24)27(31(41)38-21)18-37-32(42)30-23(3)40(28-12-8-7-11-26(28)30)22(2)25-13-15-39(16-14-25)20-33(34,35)36/h4-12,17,22,25H,13-16,18-20H2,1-3H3,(H,37,42)(H,38,41)/t22-/m1/s1
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| InChIKey |
JYYJVTRBEUANPY-JOCHJYFZSA-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