General Information of the Compound
| Compound ID |
CP0386387
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| Compound Name |
2-(4-tert-Butylbenzyl)-3-[2-(2-bromo-4-hydroxy-5-methoxyphenyl)acetamido]propyl pivalate
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| Structure |
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| Formula |
C28H38BrNO5
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| Molecular Weight |
548.518
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| Canonical SMILES |
COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)c(Br)cc1O
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| InChI |
InChI=1S/C28H38BrNO5/c1-27(2,3)21-10-8-18(9-11-21)12-19(17-35-26(33)28(4,5)6)16-30-25(32)14-20-13-24(34-7)23(31)15-22(20)29/h8-11,13,15,19,31H,12,14,16-17H2,1-7H3,(H,30,32)
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| InChIKey |
AMOOPMVEACCAIL-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