General Information of the Compound
| Compound ID |
CP0233311
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| Compound Name |
2-(4-Hydroxy-phenylamino)-3-methoxy-[1,4]naphthoquinone
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| Structure |
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| Formula |
C17H13NO4
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| Molecular Weight |
295.294
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| Canonical SMILES |
COC1=C(Nc2ccc(O)cc2)C(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C17H13NO4/c1-22-17-14(18-10-6-8-11(19)9-7-10)15(20)12-4-2-3-5-13(12)16(17)21/h2-9,18-19H,1H3
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| InChIKey |
BMAYEIGETIZYBV-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: PT06033, Microphthalmia-associated transcription factor