General Information of the Compound
| Compound ID |
CP0409616
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| Compound Name |
2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl)-3-[2-(4-methanesulfonylamino-phenyl)-acetoxy]-propyl ester
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| Structure |
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| Formula |
C26H35NO6S
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| Molecular Weight |
489.634
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| Canonical SMILES |
Cc1ccc(CC(COC(=O)Cc2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C
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| InChI |
InChI=1S/C26H35NO6S/c1-18-7-8-21(13-19(18)2)14-22(17-33-25(29)26(3,4)5)16-32-24(28)15-20-9-11-23(12-10-20)27-34(6,30)31/h7-13,22,27H,14-17H2,1-6H3
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| InChIKey |
NFNKGHDILRCHMB-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