General Information of the Compound
| Compound ID |
CP0395666
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| Compound Name |
N-[[2-(4-anilinopiperidin-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 |
C28H31F4N5O3S
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| Molecular Weight |
593.647
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1N1CCC(CC1)Nc1ccccc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C28H31F4N5O3S/c1-18(19-8-10-24(23(29)16-19)36-41(2,39)40)27(38)33-17-20-9-11-25(28(30,31)32)35-26(20)37-14-12-22(13-15-37)34-21-6-4-3-5-7-21/h3-11,16,18,22,34,36H,12-15,17H2,1-2H3,(H,33,38)
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| InChIKey |
BUVANZDKPMKOJE-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