General Information of the Compound
| Compound ID |
CP0429962
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| Compound Name |
(1R,4aR,5S,6R,8aS)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2E)-2-[(4S)-4-hydroxy-2-oxooxolan-3-ylidene]ethyl]-1,4a-dimethylspiro[3,4,5,7,8,8a-hexahydronaphthalene-6,2'-oxirane]-2-one
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| Structure |
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| Formula |
C26H42O6Si
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| Molecular Weight |
478.702
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| Canonical SMILES |
CC(C)(C)[Si](C)(C)OC[C@@]1(C)[C@H]2CC[C@]3(CO3)[C@@H](C\C=C3/[C@H](O)COC3=O)[C@]2(C)CCC1=O
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| InChI |
InChI=1S/C26H42O6Si/c1-23(2,3)33(6,7)32-15-25(5)19-10-13-26(16-31-26)20(24(19,4)12-11-21(25)28)9-8-17-18(27)14-30-22(17)29/h8,18-20,27H,9-16H2,1-7H3/b17-8+/t18-,19+,20+,24-,25+,26+/m1/s1
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| InChIKey |
JLNKRLINVQCRAG-SFQQMKOASA-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