General Information of the Compound
| Compound ID |
CP0459457
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| Compound Name |
1-[1-[3-fluoro-4-(methanesulfonamido)phenyl]ethyl]-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]urea
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| Structure |
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| Formula |
C23H29F4N5O3S
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| Molecular Weight |
531.576
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| Canonical SMILES |
CC(NC(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C23H29F4N5O3S/c1-14-8-10-32(11-9-14)21-17(5-7-20(30-21)23(25,26)27)13-28-22(33)29-15(2)16-4-6-19(18(24)12-16)31-36(3,34)35/h4-7,12,14-15,31H,8-11,13H2,1-3H3,(H2,28,29,33)
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| InChIKey |
XIZMSSXCERQZOL-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