General Information of the Compound
| Compound ID |
CP0833865
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| Compound Name |
(R)-N-((4-Methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)-methyl)-2-methyl-1-(1-(1-(2,2,3,3-tetrafluoropropyl)piperidin-4-yl)-ethyl)-1H-indole-3-carboxamide
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| Structure |
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| Formula |
C28H34F4N4O3
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| Molecular Weight |
550.597
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| Canonical SMILES |
COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(F)(F)C(F)F)CC2)c2ccccc12
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| InChI |
InChI=1S/C28H34F4N4O3/c1-16-13-23(39-4)21(25(37)34-16)14-33-26(38)24-18(3)36(22-8-6-5-7-20(22)24)17(2)19-9-11-35(12-10-19)15-28(31,32)27(29)30/h5-8,13,17,19,27H,9-12,14-15H2,1-4H3,(H,33,38)(H,34,37)/t17-/m1/s1
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| InChIKey |
XYNHCWNJMCXHAP-QGZVFWFLSA-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