General Information of the Compound
| Compound ID |
CP0552364
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]phenyl]methyl]propanamide
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| Structure |
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| Formula |
C29H29F7N4O3S
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| Molecular Weight |
646.629
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| Canonical SMILES |
CC(C(=O)NCc1ccc(cc1N1CCN(CC1)c1cccc(c1)C(F)(F)F)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C29H29F7N4O3S/c1-18(19-7-9-25(24(30)14-19)38-44(2,42)43)27(41)37-17-20-6-8-22(29(34,35)36)16-26(20)40-12-10-39(11-13-40)23-5-3-4-21(15-23)28(31,32)33/h3-9,14-16,18,38H,10-13,17H2,1-2H3,(H,37,41)
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| InChIKey |
UQGTYRFJDKOVEQ-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