General Information of the Compound
| Compound ID |
CP0471713
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| Compound Name |
[(3S,4E)-4-[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]-5-oxooxolan-3-yl] acetate
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| Structure |
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| Formula |
C28H44O6Si
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| Molecular Weight |
504.74
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| Canonical SMILES |
CC(=O)O[C@@H]1COC(=O)\C1=C\C[C@@H]1C(=C)CC[C@@H]2[C@](C)(CO[Si](C)(C)C(C)(C)C)C(=O)CC[C@@]12C
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| InChI |
InChI=1S/C28H44O6Si/c1-18-10-13-23-27(6,21(18)12-11-20-22(34-19(2)29)16-32-25(20)31)15-14-24(30)28(23,7)17-33-35(8,9)26(3,4)5/h11,21-23H,1,10,12-17H2,2-9H3/b20-11+/t21-,22-,23+,27+,28+/m1/s1
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| InChIKey |
SCPKTCVWVMYYAV-DQVLGKLOSA-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