General Information of the Compound
| Compound ID |
CP0480946
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[4-(4-methylphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyridin-3-yl]methyl]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(nc1N1CCN(CC1)c1ccc(C)cc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C28H31F4N5O3S/c1-18-4-8-22(9-5-18)36-12-14-37(15-13-36)26-21(7-11-25(34-26)28(30,31)32)17-33-27(38)19(2)20-6-10-24(23(29)16-20)35-41(3,39)40/h4-11,16,19,35H,12-15,17H2,1-3H3,(H,33,38)
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| InChIKey |
KXCLISIPSBYMDJ-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