General Information of the Compound
| Compound ID |
CP0465954
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| Compound Name |
4-(4,4-Diethyl-3,4-dihydro-1,3-dioxoisoquinolin-2(1H)-yl) benzonitrile
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| Structure |
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| Formula |
C20H18N2O2
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| Molecular Weight |
318.376
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| Canonical SMILES |
CCC1(CC)C(=O)N(C(=O)c2ccccc12)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C20H18N2O2/c1-3-20(4-2)17-8-6-5-7-16(17)18(23)22(19(20)24)15-11-9-14(13-21)10-12-15/h5-12H,3-4H2,1-2H3
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| InChIKey |
LQFDUJAEJSSHJU-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