General Information of the Compound
| Compound ID |
CP0103030
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| Compound Name |
(2-Methyl-benzoimidazol-1-yl)-[1-(5-nitro-thiophen-2-yl)-meth-(E)-ylidene]-amine
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| Structure |
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| Formula |
C13H10N4O2S
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| Molecular Weight |
286.316
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| Canonical SMILES |
Cc1nc2ccccc2n1\N=C\c1ccc(s1)[N+]([O-])=O
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| InChI |
InChI=1S/C13H10N4O2S/c1-9-15-11-4-2-3-5-12(11)16(9)14-8-10-6-7-13(20-10)17(18)19/h2-8H,1H3/b14-8+
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| InChIKey |
RBCPBVNYTIFDIR-RIYZIHGNSA-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