General Information of the Compound
| Compound ID |
CP0447625
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| Compound Name |
1-[[3-fluoro-4-(methanesulfonamidomethyl)phenyl]methyl]-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 |
CC1CCN(CC1)c1nc(ccc1CNC(=O)NCc1ccc(CNS(C)(=O)=O)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C23H29F4N5O3S/c1-15-7-9-32(10-8-15)21-18(5-6-20(31-21)23(25,26)27)13-29-22(33)28-12-16-3-4-17(19(24)11-16)14-30-36(2,34)35/h3-6,11,15,30H,7-10,12-14H2,1-2H3,(H2,28,29,33)
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| InChIKey |
LQSJQVZFFSFZFB-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