General Information of the Compound
| Compound ID |
CP0444273
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| Compound Name |
[2-(4-tert-butylphenyl)-3-[[3-fluoro-4-(methanesulfonamido)phenyl]methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate
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| Structure |
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| Formula |
C27H38FN3O4S2
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| Molecular Weight |
551.75
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| Canonical SMILES |
CC(C)(C)C(=O)OCC(CNC(=S)NCc1ccc(NS(C)(=O)=O)c(F)c1)c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C27H38FN3O4S2/c1-26(2,3)21-11-9-19(10-12-21)20(17-35-24(32)27(4,5)6)16-30-25(36)29-15-18-8-13-23(22(28)14-18)31-37(7,33)34/h8-14,20,31H,15-17H2,1-7H3,(H2,29,30,36)
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| InChIKey |
STAULMOPCIDUEU-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