General Information of the Compound
| Compound ID |
CP0133914
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| Compound Name |
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-[(E)-2-thiophen-3-ylethenyl]benzene-1,3-diol
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| Structure |
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| Formula |
C22H26O2S
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| Molecular Weight |
354.515
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| Canonical SMILES |
CC(C)=CCC\C(C)=C\Cc1c(O)cc(\C=C\c2ccsc2)cc1O
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| InChI |
InChI=1S/C22H26O2S/c1-16(2)5-4-6-17(3)7-10-20-21(23)13-19(14-22(20)24)9-8-18-11-12-25-15-18/h5,7-9,11-15,23-24H,4,6,10H2,1-3H3/b9-8+,17-7+
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| InChIKey |
JGJVSEHGKNESFG-MZYNZGBKSA-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