General Information of the Compound
| Compound ID |
CP0412278
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| Compound Name |
[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] (Z)-4-(3,4-dimethylphenyl)-4-oxobut-2-enoate
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| Structure |
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| Formula |
C28H26O7
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| Molecular Weight |
474.509
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| Canonical SMILES |
CC(C)=CC[C@@H](OC(=O)\C=C/C(=O)c1ccc(C)c(C)c1)C1=CC(=O)c2c(O)ccc(O)c2C1=O
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| InChI |
InChI=1S/C28H26O7/c1-15(2)5-11-24(19-14-23(32)26-21(30)8-9-22(31)27(26)28(19)34)35-25(33)12-10-20(29)18-7-6-16(3)17(4)13-18/h5-10,12-14,24,30-31H,11H2,1-4H3/b12-10-/t24-/m1/s1
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| InChIKey |
LXJDTUACYLEVBY-PFQQOQBSSA-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