General Information of the Compound
| Compound ID |
CP0560076
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| Compound Name |
[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] (Z)-4-oxo-4-phenylbut-2-enoate
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| Structure |
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| Formula |
C26H22O7
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| Molecular Weight |
446.455
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| Canonical SMILES |
CC(C)=CC[C@@H](OC(=O)\C=C/C(=O)c1ccccc1)C1=CC(=O)c2c(O)ccc(O)c2C1=O
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| InChI |
InChI=1S/C26H22O7/c1-15(2)8-12-22(33-23(31)13-11-18(27)16-6-4-3-5-7-16)17-14-21(30)24-19(28)9-10-20(29)25(24)26(17)32/h3-11,13-14,22,28-29H,12H2,1-2H3/b13-11-/t22-/m1/s1
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| InChIKey |
YKXLLBKRAPDNJP-VZNHHXIYSA-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