General Information of the Compound
| Compound ID |
CP0441314
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| Compound Name |
N-[3,3-bis(4-chlorophenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C25H23Cl2FN2O3S
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| Molecular Weight |
521.441
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| Canonical SMILES |
CC(C(=O)NCC=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C25H23Cl2FN2O3S/c1-16(19-7-12-24(23(28)15-19)30-34(2,32)33)25(31)29-14-13-22(17-3-8-20(26)9-4-17)18-5-10-21(27)11-6-18/h3-13,15-16,30H,14H2,1-2H3,(H,29,31)
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| InChIKey |
PBVKWGIXRSBAFV-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