General Information of the Compound
| Compound ID |
CP0416587
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| Compound Name |
[3-(3,4-dimethylphenyl)-2-[[3-fluoro-4-(methanesulfonamido)phenyl]methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate
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| Structure |
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| Formula |
C25H34FN3O4S2
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| Molecular Weight |
523.696
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| Canonical SMILES |
Cc1ccc(CC(COC(=O)C(C)(C)C)NC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1C
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| InChI |
InChI=1S/C25H34FN3O4S2/c1-16-7-8-18(11-17(16)2)12-20(15-33-23(30)25(3,4)5)28-24(34)27-14-19-9-10-22(21(26)13-19)29-35(6,31)32/h7-11,13,20,29H,12,14-15H2,1-6H3,(H2,27,28,34)
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| InChIKey |
YNMZLGVEFKRTOM-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