General Information of the Compound
| Compound ID |
CP0172886
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| Compound Name |
1-[4-[3-[4-[(2-hydroxy-3,3-dimethylbutyl)amino]-3-methylphenyl]pentan-3-yl]-2-methylanilino]-3,3-dimethylbutan-2-ol
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| Structure |
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| Formula |
C31H50N2O2
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| Molecular Weight |
482.753
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| Canonical SMILES |
CCC(CC)(c1ccc(NCC(O)C(C)(C)C)c(C)c1)c1ccc(NCC(O)C(C)(C)C)c(C)c1
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| InChI |
InChI=1S/C31H50N2O2/c1-11-31(12-2,23-13-15-25(21(3)17-23)32-19-27(34)29(5,6)7)24-14-16-26(22(4)18-24)33-20-28(35)30(8,9)10/h13-18,27-28,32-35H,11-12,19-20H2,1-10H3
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| InChIKey |
JCWZJZVTGUGXSB-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