General Information of the Compound
| Compound ID |
CP0395700
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyridin-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C28H28F7N5O3S
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| Molecular Weight |
647.617
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1N1CCN(CC1)c1ccc(cc1)C(F)(F)F)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C28H28F7N5O3S/c1-17(18-3-9-23(22(29)15-18)38-44(2,42)43)26(41)36-16-19-4-10-24(28(33,34)35)37-25(19)40-13-11-39(12-14-40)21-7-5-20(6-8-21)27(30,31)32/h3-10,15,17,38H,11-14,16H2,1-2H3,(H,36,41)
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| InChIKey |
UMQDSQPGKGJAGO-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