General Information of the Compound
| Compound ID |
CP0011809
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| Compound Name |
Benzoimidazol-1-yl-[1-(5-nitro-thiophen-2-yl)-meth-(E)-ylidene]-amine
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| Structure |
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| Formula |
C12H8N4O2S
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| Molecular Weight |
272.289
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| Canonical SMILES |
[O-][N+](=O)c1ccc(\C=N\n2cnc3ccccc23)s1
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| InChI |
InChI=1S/C12H8N4O2S/c17-16(18)12-6-5-9(19-12)7-14-15-8-13-10-3-1-2-4-11(10)15/h1-8H/b14-7+
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| InChIKey |
REXSYOASIGFOSW-VGOFMYFVSA-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