General Information of the Compound
| Compound ID |
CP0408668
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| Compound Name |
[(1R,4aS,5R,8aS)-5-[(2E)-2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxooxolan-3-ylidene]ethyl]-1,4a-dimethyl-6-methylidene-2-oxo-3,4,5,7,8,8a-hexahydronaphthalen-1-yl]methyl 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)OC[C@@]1(C)[C@H]2CCC(=C)[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/C28H44O6Si/c1-18-10-13-23-27(6,15-14-24(30)28(23,7)17-33-19(2)29)21(18)12-11-20-22(16-32-25(20)31)34-35(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 |
WDSMKUOYFZJIPU-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