General Information of the Compound
| Compound ID |
CP0454032
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| Compound Name |
4-(2-chloro-4,6-dimethoxy-anilino)-1,2-naphthoquinone
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| Structure |
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| Formula |
C18H14ClNO4
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| Molecular Weight |
343.766
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| Canonical SMILES |
COc1cc(Cl)c(NC2=CC(=O)C(=O)c3ccccc23)c(OC)c1
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| InChI |
InChI=1S/C18H14ClNO4/c1-23-10-7-13(19)17(16(8-10)24-2)20-14-9-15(21)18(22)12-6-4-3-5-11(12)14/h3-9,20H,1-2H3
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| InChIKey |
RDHLRHGHRLGRQV-UHFFFAOYSA-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8