General Information of the Compound
| Compound ID |
CP0496606
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| Compound Name |
2-(4-tert-Butylbenzyl)-3-[2-(3,5-dibromo-4-hydroxyphenyl)acetamido]propyl pivalate
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| Structure |
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| Formula |
C27H35Br2NO4
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| Molecular Weight |
597.388
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| Canonical SMILES |
CC(C)(C)C(=O)OCC(CNC(=O)Cc1cc(Br)c(O)c(Br)c1)Cc1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C27H35Br2NO4/c1-26(2,3)20-9-7-17(8-10-20)11-19(16-34-25(33)27(4,5)6)15-30-23(31)14-18-12-21(28)24(32)22(29)13-18/h7-10,12-13,19,32H,11,14-16H2,1-6H3,(H,30,31)
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| InChIKey |
NQJNADGOWUASQB-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