General Information of the Compound
| Compound ID |
CP0443271
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| Compound Name |
5,8-dichloro-2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-(1H-pyrazol-4-yl)-3,4-dihydroisoquinolin-1-one
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| Structure |
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| Formula |
C20H18Cl2N4O2
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| Molecular Weight |
417.296
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| Canonical SMILES |
Cc1cc(C)c(CN2CCc3c(Cl)cc(-c4cn[nH]c4)c(Cl)c3C2=O)c(=O)[nH]1
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| InChI |
InChI=1S/C20H18Cl2N4O2/c1-10-5-11(2)25-19(27)15(10)9-26-4-3-13-16(21)6-14(12-7-23-24-8-12)18(22)17(13)20(26)28/h5-8H,3-4,9H2,1-2H3,(H,23,24)(H,25,27)
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| InChIKey |
MQFPEQKHLBSYOY-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
Protein ID: PT03003, Histone-lysine N-methyltransferase EZH2