General Information of the Compound
| Compound ID |
CP0293606
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| Compound Name |
1-[(5-nitro-2-thiophenyl)methylideneamino]-2-benzimidazolamine
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| Structure |
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| Formula |
C12H9N5O2S
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| Molecular Weight |
287.304
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| Canonical SMILES |
Nc1nc2ccccc2n1\N=C\c1ccc(s1)[N+]([O-])=O
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| InChI |
InChI=1S/C12H9N5O2S/c13-12-15-9-3-1-2-4-10(9)16(12)14-7-8-5-6-11(20-8)17(18)19/h1-7H,(H2,13,15)/b14-7+
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| InChIKey |
CYCOMQXXBZQCAG-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: PT06033, Microphthalmia-associated transcription factor