General Information of the Compound
| Compound ID |
CP0122713
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| Compound Name |
5-Bromo-nicotinic acid [1-(5-nitro-thiophen-2-yl)-meth-(Z)-ylidene]-hydrazide
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| Structure |
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| Formula |
C11H7BrN4O3S
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| Molecular Weight |
355.173
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| Canonical SMILES |
[O-][N+](=O)c1ccc(\C=N/NC(=O)c2cncc(Br)c2)s1
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| InChI |
InChI=1S/C11H7BrN4O3S/c12-8-3-7(4-13-5-8)11(17)15-14-6-9-1-2-10(20-9)16(18)19/h1-6H,(H,15,17)/b14-6-
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| InChIKey |
YEDSXCJEAFAHKT-NSIKDUERSA-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