General Information of the Compound
| Compound ID |
CP0490576
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| Compound Name |
2-[(4-tert-butylphenyl)methyl]-3-[2-(4-methanesulfonamido-3-methoxyphenyl)propanamido]propyl 2,2-dimethylpropanoate
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| Structure |
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| Formula |
C30H44N2O6S
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| Molecular Weight |
560.757
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| Canonical SMILES |
COc1cc(ccc1NS(C)(=O)=O)C(C)C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C30H44N2O6S/c1-20(23-12-15-25(26(17-23)37-8)32-39(9,35)36)27(33)31-18-22(19-38-28(34)30(5,6)7)16-21-10-13-24(14-11-21)29(2,3)4/h10-15,17,20,22,32H,16,18-19H2,1-9H3,(H,31,33)
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| InChIKey |
ITXHLTBQNZPKSS-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