General Information of the Compound
| Compound ID |
CP0441198
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| Compound Name |
4-(3,4-Dihydro-4,4-dimethyl-1,3-dioxoisoquinolin-2(1H)-yl)benzonitrile
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| Structure |
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| Formula |
C18H14N2O2
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| Molecular Weight |
290.322
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| Canonical SMILES |
CC1(C)C(=O)N(C(=O)c2ccccc12)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C18H14N2O2/c1-18(2)15-6-4-3-5-14(15)16(21)20(17(18)22)13-9-7-12(11-19)8-10-13/h3-10H,1-2H3
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| InChIKey |
IGUKOSPEPNPPPI-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