General Information of the Compound
| Compound ID |
CP0398343
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| Compound Name |
5,8-dichloro-2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-one
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| Structure |
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| Formula |
C23H24Cl2N4O2
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| Molecular Weight |
459.377
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| Canonical SMILES |
Cc1nn(C)c(C)c1-c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl
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| InChI |
InChI=1S/C23H24Cl2N4O2/c1-11-8-12(2)26-22(30)17(11)10-29-7-6-15-18(24)9-16(21(25)20(15)23(29)31)19-13(3)27-28(5)14(19)4/h8-9H,6-7,10H2,1-5H3,(H,26,30)
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| InChIKey |
WTVZVSPKNYDZFT-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