General Information of the Compound
| Compound ID |
CP0455152
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| Compound Name |
N-[[2-[benzyl(propan-2-ylsulfonyl)amino]-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C27H30F4N4O5S2
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| Molecular Weight |
630.686
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| Canonical SMILES |
CC(C)S(=O)(=O)N(Cc1ccccc1)c1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C27H30F4N4O5S2/c1-17(2)42(39,40)35(16-19-8-6-5-7-9-19)25-21(11-13-24(33-25)27(29,30)31)15-32-26(36)18(3)20-10-12-23(22(28)14-20)34-41(4,37)38/h5-14,17-18,34H,15-16H2,1-4H3,(H,32,36)
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| InChIKey |
IIOKDCDGMMAQCW-UHFFFAOYSA-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