General Information of the Compound
| Compound ID |
CP0677788
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| Compound Name |
5-(4-(1-(hydroxyimino)-2,2-dimethylpropyl)phenyl)-1-methyl-1H-pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C17H19N3O
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| Molecular Weight |
281.359
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| Canonical SMILES |
Cn1c(C#N)ccc1-c1ccc(/C(=N\O)C(C)(C)C)cc1
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| InChI |
InChI=1S/C17H19N3O/c1-17(2,3)16(19-21)13-7-5-12(6-8-13)15-10-9-14(11-18)20(15)4/h5-10,21H,1-4H3/b19-16+
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| InChIKey |
BNYATMGZJPIGMW-KNTRCKAVSA-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