General Information of the Compound
| Compound ID |
CP0399582
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| Compound Name |
2-[(3,4-dimethylphenyl)methyl]-3-[2-(4-methanesulfonamido-3-methoxyphenyl)propanamido]propyl 2,2-dimethylpropanoate
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| Structure |
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| Formula |
C28H40N2O6S
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| Molecular Weight |
532.703
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| Canonical SMILES |
COc1cc(ccc1NS(C)(=O)=O)C(C)C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(C)c(C)c1
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| InChI |
InChI=1S/C28H40N2O6S/c1-18-9-10-21(13-19(18)2)14-22(17-36-27(32)28(4,5)6)16-29-26(31)20(3)23-11-12-24(25(15-23)35-7)30-37(8,33)34/h9-13,15,20,22,30H,14,16-17H2,1-8H3,(H,29,31)
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| InChIKey |
OYGOFWNPGFKSDH-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