General Information of the Compound
| Compound ID |
CP0469645
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| Compound Name |
3-[2-(3-Bromo-4-hydroxyphenyl)acetamido]-2-(4-tertbutylbenzyl)propyl pivalate
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| Structure |
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| Formula |
C27H36BrNO4
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| Molecular Weight |
518.492
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| Canonical SMILES |
CC(C)(C)C(=O)OCC(CNC(=O)Cc1ccc(O)c(Br)c1)Cc1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C27H36BrNO4/c1-26(2,3)21-10-7-18(8-11-21)13-20(17-33-25(32)27(4,5)6)16-29-24(31)15-19-9-12-23(30)22(28)14-19/h7-12,14,20,30H,13,15-17H2,1-6H3,(H,29,31)
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| InChIKey |
SCAGZYOBIABQAU-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