General Information of the Compound
| Compound ID |
CP0372357
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| Compound Name |
2-[(3,4-dimethylphenyl)methyl]-3-[2-(4-methanesulfonamidophenyl)-2-methylpropanamido]propyl 2,2-dimethylpropanoate
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| Structure |
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| Formula |
C28H40N2O5S
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| Molecular Weight |
516.704
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| Canonical SMILES |
Cc1ccc(CC(CNC(=O)C(C)(C)c2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C
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| InChI |
InChI=1S/C28H40N2O5S/c1-19-9-10-21(15-20(19)2)16-22(18-35-26(32)27(3,4)5)17-29-25(31)28(6,7)23-11-13-24(14-12-23)30-36(8,33)34/h9-15,22,30H,16-18H2,1-8H3,(H,29,31)
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| InChIKey |
KEBSGEOWFWZBNL-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