General Information of the Compound
| Compound ID |
CP0373633
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| Compound Name |
(2S)-3-(4-(3-(4-(2-hydroxy-3,3-dimethyl-4-phenylbutoxy)-3-methylphenyl)pentan-3-yl)-2-methylphenoxy)propane-1,2-diol
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| Structure |
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| Formula |
C34H46O5
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| Molecular Weight |
534.737
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| Canonical SMILES |
CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)Cc2ccccc2)c(C)c1
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| InChI |
InChI=1S/C34H46O5/c1-7-34(8-2,27-14-16-30(24(3)18-27)38-22-29(36)21-35)28-15-17-31(25(4)19-28)39-23-32(37)33(5,6)20-26-12-10-9-11-13-26/h9-19,29,32,35-37H,7-8,20-23H2,1-6H3/t29-,32?/m0/s1
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| InChIKey |
ZIIYQMXQGYNGSO-QGFKTNLFSA-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