General Information of the Compound
| Compound ID |
CP0946434
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| Compound Name |
3-(1-(hydroxyimino)-3,3-dimethyl-2,3-dihydro-1H-inden-5-yl)benzonitrile
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| Structure |
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| Formula |
C18H16N2O
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| Molecular Weight |
276.339
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| Canonical SMILES |
CC1(C)C/C(=N\O)c2ccc(-c3cccc(C#N)c3)cc21
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| InChI |
InChI=1S/C18H16N2O/c1-18(2)10-17(20-21)15-7-6-14(9-16(15)18)13-5-3-4-12(8-13)11-19/h3-9,21H,10H2,1-2H3/b20-17+
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| InChIKey |
JIKHATGBFZSJGW-LVZFUZTISA-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