General Information of the Compound
| Compound ID |
CP0101485
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| Compound Name |
[(1R,4aR,5S,6R,8aS)-5-[(2E)-2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxooxolan-3-ylidene]ethyl]-1,4a-dimethyl-2-oxospiro[3,4,5,7,8,8a-hexahydronaphthalene-6,2'-oxirane]-1-yl]methyl acetate
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| Structure |
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| Formula |
C28H44O7Si
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| Molecular Weight |
520.739
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| Canonical SMILES |
CC(=O)OC[C@@]1(C)[C@H]2CC[C@]3(CO3)[C@@H](C\C=C3/[C@@H](COC3=O)O[Si](C)(C)C(C)(C)C)[C@]2(C)CCC1=O
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| InChI |
InChI=1S/C28H44O7Si/c1-18(29)33-16-27(6)21-11-14-28(17-34-28)22(26(21,5)13-12-23(27)30)10-9-19-20(15-32-24(19)31)35-36(7,8)25(2,3)4/h9,20-22H,10-17H2,1-8H3/b19-9+/t20-,21+,22+,26-,27+,28+/m1/s1
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| InChIKey |
KHPKUNRFOODLLZ-HGYQLGRQSA-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