General Information of the Compound
| Compound ID |
CP0393080
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| Compound Name |
N-[3,3-bis(4-methylphenyl)propyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C27H31FN2O3S
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| Molecular Weight |
482.621
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| Canonical SMILES |
CC(C(=O)NCCC(c1ccc(C)cc1)c1ccc(C)cc1)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C27H31FN2O3S/c1-18-5-9-21(10-6-18)24(22-11-7-19(2)8-12-22)15-16-29-27(31)20(3)23-13-14-26(25(28)17-23)30-34(4,32)33/h5-14,17,20,24,30H,15-16H2,1-4H3,(H,29,31)
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| InChIKey |
YBOMACIOIMLSKE-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