General Information of the Compound
| Compound ID |
CP0230172
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| Compound Name |
(3E,4S)-3-[2-[(1S,2S,4aS,5R,6R,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-5,8a-dimethylspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl]ethylidene]-4-hydroxyoxolan-2-one
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| Structure |
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| Formula |
C26H44O6Si
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| Molecular Weight |
480.718
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| Canonical SMILES |
CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@]2(C)[C@H](C\C=C3/[C@H](O)COC3=O)[C@]3(CO3)CC[C@@H]2[C@]1(C)CO
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| InChI |
InChI=1S/C26H44O6Si/c1-23(2,3)33(6,7)32-21-11-12-24(4)19(25(21,5)15-27)10-13-26(16-31-26)20(24)9-8-17-18(28)14-30-22(17)29/h8,18-21,27-28H,9-16H2,1-7H3/b17-8+/t18-,19+,20+,21-,24-,25+,26-/m1/s1
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| InChIKey |
MMSUDXPTHLZGGS-ZFGIWEOCSA-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: PT01503, Signal transducer and activator of transcription 3