General Information of the Compound
| Compound ID |
CP0323264
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| Compound Name |
4,4-Dimethyl-2-p-tolylisoquinoline-1,3(2H,4H)-dione
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| Structure |
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| Formula |
C18H17NO2
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| Molecular Weight |
279.339
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| Canonical SMILES |
Cc1ccc(cc1)N1C(=O)c2ccccc2C(C)(C)C1=O
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| InChI |
InChI=1S/C18H17NO2/c1-12-8-10-13(11-9-12)19-16(20)14-6-4-5-7-15(14)18(2,3)17(19)21/h4-11H,1-3H3
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| InChIKey |
VMTIXWPLQVGINM-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