General Information of the Compound
| Compound ID |
CP0044608
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| Compound Name |
2-(4-methylphenoxy)-3,5-dinitro-benzamide
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| Structure |
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| Formula |
C14H11N3O6
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| Molecular Weight |
317.257
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| Canonical SMILES |
Cc1ccc(Oc2c(cc(cc2[N+]([O-])=O)[N+]([O-])=O)C(N)=O)cc1
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| InChI |
InChI=1S/C14H11N3O6/c1-8-2-4-10(5-3-8)23-13-11(14(15)18)6-9(16(19)20)7-12(13)17(21)22/h2-7H,1H3,(H2,15,18)
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| InChIKey |
ZPGORZVSLKOOOH-UHFFFAOYSA-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