General Information of the Compound
| Compound ID |
CP0163108
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| Compound Name |
3-bromo-N-[(E)-(8-hydroxyquinolin-5-yl)methylideneamino]benzamide
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| Structure |
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| Formula |
C17H12BrN3O2
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| Molecular Weight |
370.206
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| Canonical SMILES |
Oc1ccc(\C=N\NC(=O)c2cccc(Br)c2)c2cccnc12
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| InChI |
InChI=1S/C17H12BrN3O2/c18-13-4-1-3-11(9-13)17(23)21-20-10-12-6-7-15(22)16-14(12)5-2-8-19-16/h1-10,22H,(H,21,23)/b20-10+
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| InChIKey |
GKUPVDUJJGVFGI-KEBDBYFISA-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