General Information of the Compound
| Compound ID |
CP0482532
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| Compound Name |
5-(4-hydroxy-2-nitrophenyl)-1-methylpyrrole-2-carbonitrile
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| Structure |
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| Formula |
C12H9N3O3
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| Molecular Weight |
243.222
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| Canonical SMILES |
Cn1c(ccc1-c1ccc(O)cc1[N+]([O-])=O)C#N
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| InChI |
InChI=1S/C12H9N3O3/c1-14-8(7-13)2-5-11(14)10-4-3-9(16)6-12(10)15(17)18/h2-6,16H,1H3
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| InChIKey |
FZJIFCWNSZSYGZ-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