General Information of the Compound
| Compound ID |
CP0398335
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| Compound Name |
N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide
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| Structure |
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| Formula |
C25H36F3N5O3S
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| Molecular Weight |
543.656
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| Canonical SMILES |
C[C@H](NC(=O)c1c(C)nn(C2CCN(CC(F)(F)F)CC2)c1NS(=O)(=O)c1ccc(C)cc1)C(C)(C)C
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| InChI |
InChI=1S/C25H36F3N5O3S/c1-16-7-9-20(10-8-16)37(35,36)31-22-21(23(34)29-18(3)24(4,5)6)17(2)30-33(22)19-11-13-32(14-12-19)15-25(26,27)28/h7-10,18-19,31H,11-15H2,1-6H3,(H,29,34)/t18-/m0/s1
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| InChIKey |
ASROBFZJWMKUSD-SFHVURJKSA-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