General Information of the Compound
| Compound ID |
CP0469581
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| Compound Name |
2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-8-methyl-7-propan-2-yloxy-3,4-dihydroisoquinolin-1-one
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| Structure |
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| Formula |
C21H26N2O3
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| Molecular Weight |
354.45
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| Canonical SMILES |
CC(C)Oc1ccc2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1C
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| InChI |
InChI=1S/C21H26N2O3/c1-12(2)26-18-7-6-16-8-9-23(21(25)19(16)15(18)5)11-17-13(3)10-14(4)22-20(17)24/h6-7,10,12H,8-9,11H2,1-5H3,(H,22,24)
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| InChIKey |
LMEVDBXFNKOLNE-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