General Information of the Compound
| Compound ID |
CP0470485
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| Compound Name |
[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] (Z)-4-(5-chloro-2-methylphenyl)-4-oxobut-2-enoate
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| Structure |
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| Formula |
C27H23ClO7
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| Molecular Weight |
494.927
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| Canonical SMILES |
CC(C)=CC[C@@H](OC(=O)\C=C/C(=O)c1cc(Cl)ccc1C)C1=CC(=O)c2c(O)ccc(O)c2C1=O
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| InChI |
InChI=1S/C27H23ClO7/c1-14(2)4-10-23(18-13-22(32)25-20(30)7-8-21(31)26(25)27(18)34)35-24(33)11-9-19(29)17-12-16(28)6-5-15(17)3/h4-9,11-13,23,30-31H,10H2,1-3H3/b11-9-/t23-/m1/s1
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| InChIKey |
KKISNJGIWVVAJH-VLRJHWBUSA-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