General Information of the Compound
| Compound ID |
CP0420072
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| Compound Name |
1-[3-fluoro-4-(methanesulfonamido)phenyl]-1-(3-methylphenyl)-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]urea
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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 |
CC1CCN(CC1)c1nc(ccc1CNC(=O)N(c1cccc(C)c1)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C28H31F4N5O3S/c1-18-11-13-36(14-12-18)26-20(7-10-25(34-26)28(30,31)32)17-33-27(38)37(21-6-4-5-19(2)15-21)22-8-9-24(23(29)16-22)35-41(3,39)40/h4-10,15-16,18,35H,11-14,17H2,1-3H3,(H,33,38)
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| InChIKey |
ZLIFMSDWHKHPMG-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