General Information of the Compound
| Compound ID |
CP0640301
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| Compound Name |
4-(4-hydroxy-3-methoxybenzylidene)-1-(3,4-dichlorophenyl)pyrazolidine-3,5-dione
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| Structure |
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| Formula |
C17H12Cl2N2O4
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| Molecular Weight |
379.199
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| Canonical SMILES |
COc1cc(/C=C2\C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)ccc1O
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| InChI |
InChI=1S/C17H12Cl2N2O4/c1-25-15-7-9(2-5-14(15)22)6-11-16(23)20-21(17(11)24)10-3-4-12(18)13(19)8-10/h2-8,22H,1H3,(H,20,23)/b11-6+
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| InChIKey |
HXGLQQGNMQRHCK-IZZDOVSWSA-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