General Information of the Compound
| Compound ID |
CP0428032
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C26H28F4N6O3S
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| Molecular Weight |
580.608
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1N1CCN(CC1)c1ccccn1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C26H28F4N6O3S/c1-17(18-6-8-21(20(27)15-18)34-40(2,38)39)25(37)32-16-19-7-9-22(26(28,29)30)33-24(19)36-13-11-35(12-14-36)23-5-3-4-10-31-23/h3-10,15,17,34H,11-14,16H2,1-2H3,(H,32,37)
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| InChIKey |
DMURRWZLAUOOTM-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