General Information of the Compound
| Compound ID |
CP0573529
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[4-(3-methylphenyl)piperazin-1-yl]-4-(trifluoromethyl)phenyl]methyl]propanamide
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| Structure |
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| Formula |
C29H32F4N4O3S
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| Molecular Weight |
592.659
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| Canonical SMILES |
CC(C(=O)NCc1ccc(cc1N1CCN(CC1)c1cccc(C)c1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C29H32F4N4O3S/c1-19-5-4-6-24(15-19)36-11-13-37(14-12-36)27-17-23(29(31,32)33)9-7-22(27)18-34-28(38)20(2)21-8-10-26(25(30)16-21)35-41(3,39)40/h4-10,15-17,20,35H,11-14,18H2,1-3H3,(H,34,38)
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| InChIKey |
RRARRNONYCUSSU-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