General Information of the Compound
| Compound ID |
CP0439591
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| Compound Name |
2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl)-3-(4-methanesulfonylamino-benzyloxythiocarbonylamino)-propyl ester
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| Structure |
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| Formula |
C26H36N2O5S2
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| Molecular Weight |
520.717
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| Canonical SMILES |
Cc1ccc(CC(CNC(=S)OCc2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C
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| InChI |
InChI=1S/C26H36N2O5S2/c1-18-7-8-21(13-19(18)2)14-22(17-32-24(29)26(3,4)5)15-27-25(34)33-16-20-9-11-23(12-10-20)28-35(6,30)31/h7-13,22,28H,14-17H2,1-6H3,(H,27,34)
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| InChIKey |
BGGGXHNSURQXCK-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