General Information of the Compound
| Compound ID |
CP0529432
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| Compound Name |
N-[[2-cyclohexylsulfanyl-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-cyclopentyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]acetamide
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| Structure |
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| Formula |
C27H33F4N3O3S2
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| Molecular Weight |
587.705
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| Canonical SMILES |
CS(=O)(=O)Nc1ccc(cc1F)C(C1CCCC1)C(=O)NCc1ccc(nc1SC1CCCCC1)C(F)(F)F
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| InChI |
InChI=1S/C27H33F4N3O3S2/c1-39(36,37)34-22-13-11-18(15-21(22)28)24(17-7-5-6-8-17)25(35)32-16-19-12-14-23(27(29,30)31)33-26(19)38-20-9-3-2-4-10-20/h11-15,17,20,24,34H,2-10,16H2,1H3,(H,32,35)
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| InChIKey |
JTOJUEFEERFUIY-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