General Information of the Compound
| Compound ID |
CP0471717
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| Compound Name |
(3E,4R)-3-[2-[(1R,4aS,5R,8aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,8a-dimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one
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| Structure |
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| Formula |
C26H42O5Si
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| Molecular Weight |
462.703
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| Canonical SMILES |
CC(C)(C)[Si](C)(C)OC[C@@]1(C)[C@H]2CCC(=C)[C@@H](C\C=C3/[C@@H](O)COC3=O)[C@]2(C)CCC1=O
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| InChI |
InChI=1S/C26H42O5Si/c1-17-9-12-21-25(5,19(17)11-10-18-20(27)15-30-23(18)29)14-13-22(28)26(21,6)16-31-32(7,8)24(2,3)4/h10,19-21,27H,1,9,11-16H2,2-8H3/b18-10+/t19-,20+,21+,25+,26+/m1/s1
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| InChIKey |
KTVBVTNYECVIHP-LKWMMUANSA-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