General Information of the Compound
| Compound ID |
CP0446018
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(4-methylcyclohexyl)amino]-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C24H30F4N4O3S
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| Molecular Weight |
530.588
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1NC1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C24H30F4N4O3S/c1-14-4-8-18(9-5-14)30-22-17(7-11-21(31-22)24(26,27)28)13-29-23(33)15(2)16-6-10-20(19(25)12-16)32-36(3,34)35/h6-7,10-12,14-15,18,32H,4-5,8-9,13H2,1-3H3,(H,29,33)(H,30,31)
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| InChIKey |
NWWQXXBHOPDTHY-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