General Information of the Compound
| Compound ID |
CP0170585
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| Compound Name |
4-(4-{1-Ethyl-1-[4-(3-hydroxy-3-methyl-butylamino)-3-methyl-phenyl]-propyl}-2-methyl-phenylamino)-2-methyl-butan-2-ol
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| Structure |
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| Formula |
C29H46N2O2
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| Molecular Weight |
454.699
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| Canonical SMILES |
CCC(CC)(c1ccc(NCCC(C)(C)O)c(C)c1)c1ccc(NCCC(C)(C)O)c(C)c1
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| InChI |
InChI=1S/C29H46N2O2/c1-9-29(10-2,23-11-13-25(21(3)19-23)30-17-15-27(5,6)32)24-12-14-26(22(4)20-24)31-18-16-28(7,8)33/h11-14,19-20,30-33H,9-10,15-18H2,1-8H3
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| InChIKey |
DRXQBXQHEJFWIA-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