General Information of the Compound
| Compound ID |
CP0398034
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| Compound Name |
[5-bromo-4-[2-[(4-tert-butylphenyl)methylamino]-2-oxoethyl]-2-methoxyphenyl] acetate
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| Structure |
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| Formula |
C22H26BrNO4
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| Molecular Weight |
448.357
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| Canonical SMILES |
COc1cc(CC(=O)NCc2ccc(cc2)C(C)(C)C)c(Br)cc1OC(C)=O
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| InChI |
InChI=1S/C22H26BrNO4/c1-14(25)28-20-12-18(23)16(10-19(20)27-5)11-21(26)24-13-15-6-8-17(9-7-15)22(2,3)4/h6-10,12H,11,13H2,1-5H3,(H,24,26)
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| InChIKey |
SWISDCZTOHILMB-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