General Information of the Compound
| Compound ID |
CP0408001
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| Compound Name |
5-Bromo-3-phenyl-1H-indole-2-carboxylic acid [1-(4-hydroxy-phenyl)-meth-(E)-ylidene]-hydrazide
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| Structure |
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| Formula |
C22H16BrN3O2
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| Molecular Weight |
434.293
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| Canonical SMILES |
Oc1ccc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)cc1
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| InChI |
InChI=1S/C22H16BrN3O2/c23-16-8-11-19-18(12-16)20(15-4-2-1-3-5-15)21(25-19)22(28)26-24-13-14-6-9-17(27)10-7-14/h1-13,25,27H,(H,26,28)/b24-13+
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| InChIKey |
GFNVXYLNGIDIKC-ZMOGYAJESA-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