General Information of the Compound
| Compound ID |
CP0467245
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| Compound Name |
2-[(3,4-dimethylphenyl)methyl]-3-[2-(4-methanesulfonamido-3-methoxyphenyl)-2-methylpropanamido]propyl 2,2-dimethylpropanoate
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| Structure |
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| Formula |
C29H42N2O6S
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| Molecular Weight |
546.73
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| Canonical SMILES |
COc1cc(ccc1NS(C)(=O)=O)C(C)(C)C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(C)c(C)c1
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| InChI |
InChI=1S/C29H42N2O6S/c1-19-10-11-21(14-20(19)2)15-22(18-37-27(33)28(3,4)5)17-30-26(32)29(6,7)23-12-13-24(25(16-23)36-8)31-38(9,34)35/h10-14,16,22,31H,15,17-18H2,1-9H3,(H,30,32)
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| InChIKey |
ZWXVCXZXXCMLFX-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