General Information of the Compound
| Compound ID |
CP0453711
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| Compound Name |
N-[[2-[4-(3-chloropyridin-2-yl)-2-methylpiperazin-1-yl]-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C27H29ClF4N6O3S
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| Molecular Weight |
629.08
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1N1CCN(CC1C)c1ncccc1Cl)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C27H29ClF4N6O3S/c1-16-15-37(25-20(28)5-4-10-33-25)11-12-38(16)24-19(7-9-23(35-24)27(30,31)32)14-34-26(39)17(2)18-6-8-22(21(29)13-18)36-42(3,40)41/h4-10,13,16-17,36H,11-12,14-15H2,1-3H3,(H,34,39)
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| InChIKey |
GNJFRVOGJVVKPG-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