General Information of the Compound
| Compound ID |
CP0320240
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| Compound Name |
1-(4-{1-Ethyl-1-[4-(3-hydroxy-3-methyl-butylamino)-3-methyl-phenyl]-propyl}-2-methyl-phenoxy)-3,3-dimethyl-butan-2-one
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| Structure |
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| Formula |
C30H45NO3
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| Molecular Weight |
467.694
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| Canonical SMILES |
CCC(CC)(c1ccc(NCCC(C)(C)O)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
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| InChI |
InChI=1S/C30H45NO3/c1-10-30(11-2,23-12-14-25(21(3)18-23)31-17-16-29(8,9)33)24-13-15-26(22(4)19-24)34-20-27(32)28(5,6)7/h12-15,18-19,31,33H,10-11,16-17,20H2,1-9H3
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| InChIKey |
LCMLIFNQTPEZII-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