General Information of the Compound
| Compound ID |
CP0575583
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| Compound Name |
N-[(4-tert-butyl-2-cyclohexylphenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C27H37FN2O3S
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| Molecular Weight |
488.669
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| Canonical SMILES |
CC(C(=O)NCc1ccc(cc1C1CCCCC1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C27H37FN2O3S/c1-18(20-12-14-25(24(28)15-20)30-34(5,32)33)26(31)29-17-21-11-13-22(27(2,3)4)16-23(21)19-9-7-6-8-10-19/h11-16,18-19,30H,6-10,17H2,1-5H3,(H,29,31)
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| InChIKey |
KTLHOZRLLZNYFT-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