General Information of the Compound
| Compound ID |
CP0347370
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| Compound Name |
(2E,4E,6Z,8E)-3,7-dimethyl-8-[(4S)-4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]octa-2,4,6-trienoic acid
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| Structure |
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| Formula |
C21H24O2
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| Molecular Weight |
308.421
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| Canonical SMILES |
C[C@H]1CC\C(=C/C(/C)=C\C=C\C(\C)=C\C(O)=O)c2ccccc12
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| InChI |
InChI=1S/C21H24O2/c1-15(7-6-8-16(2)14-21(22)23)13-18-12-11-17(3)19-9-4-5-10-20(18)19/h4-10,13-14,17H,11-12H2,1-3H3,(H,22,23)/b8-6+,15-7-,16-14+,18-13+/t17-/m0/s1
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| InChIKey |
IUAWGSHMQSZQSY-KWACTLEVSA-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