General Information of the Compound
| Compound ID |
CP0408664
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| Compound Name |
[(1R,2R,4aS,5R,8aS)-2-acetyloxy-5-[(2E)-2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxooxolan-3-ylidene]ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl acetate
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| Structure |
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| Formula |
C30H48O7Si
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| Molecular Weight |
548.793
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| Canonical SMILES |
CC(=O)OC[C@]1(C)[C@@H](CC[C@@]2(C)[C@H](C\C=C3/[C@@H](COC3=O)O[Si](C)(C)C(C)(C)C)C(=C)CC[C@H]12)OC(C)=O
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| InChI |
InChI=1S/C30H48O7Si/c1-19-11-14-25-29(7,16-15-26(36-21(3)32)30(25,8)18-35-20(2)31)23(19)13-12-22-24(17-34-27(22)33)37-38(9,10)28(4,5)6/h12,23-26H,1,11,13-18H2,2-10H3/b22-12+/t23-,24-,25+,26-,29+,30+/m1/s1
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| InChIKey |
NHWQFTKOJGNBBM-HMPHPEQUSA-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