General Information of the Compound
| Compound ID |
CP0443385
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| Compound Name |
(2S)-3-[4-[3-[4-[(2S)-3-hexoxy-2-hydroxy-3-methylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]propane-1,2-diol
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| Structure |
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| Formula |
C33H52O6
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| Molecular Weight |
544.773
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| Canonical SMILES |
CCCCCCOC(C)(C)[C@@H](O)COc1ccc(cc1C)C(CC)(CC)c1ccc(OC[C@@H](O)CO)c(C)c1
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| InChI |
InChI=1S/C33H52O6/c1-8-11-12-13-18-39-32(6,7)31(36)23-38-30-17-15-27(20-25(30)5)33(9-2,10-3)26-14-16-29(24(4)19-26)37-22-28(35)21-34/h14-17,19-20,28,31,34-36H,8-13,18,21-23H2,1-7H3/t28-,31-/m0/s1
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| InChIKey |
REMWLTCCMVFNHB-IZEXYCQBSA-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