General Information of the Compound
| Compound ID |
CP0306007
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| Compound Name |
1-[4-[3-(4-hydroxy-3-methylphenyl)pentan-3-yl]-2-methylanilino]-3,3-dimethylbutan-2-one
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| Structure |
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| Formula |
C25H35NO2
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| Molecular Weight |
381.56
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| Canonical SMILES |
CCC(CC)(c1ccc(O)c(C)c1)c1ccc(NCC(=O)C(C)(C)C)c(C)c1
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| InChI |
InChI=1S/C25H35NO2/c1-8-25(9-2,20-11-13-22(27)18(4)15-20)19-10-12-21(17(3)14-19)26-16-23(28)24(5,6)7/h10-15,26-27H,8-9,16H2,1-7H3
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| InChIKey |
DITSBKTVHHYDRT-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
Protein ID: PT01577, Androgen receptor
Protein ID: PT02378, Vitamin D3 receptor