General Information of the Compound
| Compound ID |
CP0443272
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| Compound Name |
5,8-dichloro-2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3,4-dihydroisoquinolin-1-one
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| Structure |
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| Formula |
C22H22Cl2N4O2
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| Molecular Weight |
445.35
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| Canonical SMILES |
Cc1n[nH]c(C)c1-c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl
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| InChI |
InChI=1S/C22H22Cl2N4O2/c1-10-7-11(2)25-21(29)16(10)9-28-6-5-14-17(23)8-15(20(24)19(14)22(28)30)18-12(3)26-27-13(18)4/h7-8H,5-6,9H2,1-4H3,(H,25,29)(H,26,27)
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| InChIKey |
MIXSULSYLMZXLD-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