General Information of the Compound
| Compound ID |
CP0482558
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| Compound Name |
1-methyl-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indole-2-carboxamide
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| Structure |
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| Formula |
C33H27F3N4O3
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| Molecular Weight |
584.598
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| Canonical SMILES |
CNC(=O)[C@@H](NC(=O)c1cc2cc(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)ccc2n1C)c1ccccc1
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| InChI |
InChI=1S/C33H27F3N4O3/c1-37-32(43)29(21-8-4-3-5-9-21)39-31(42)28-19-22-18-24(16-17-27(22)40(28)2)38-30(41)26-11-7-6-10-25(26)20-12-14-23(15-13-20)33(34,35)36/h3-19,29H,1-2H3,(H,37,43)(H,38,41)(H,39,42)/t29-/m0/s1
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| InChIKey |
JINDJRPDZUVMEM-LJAQVGFWSA-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