General Information of the Compound
| Compound ID |
CP0445799
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| Compound Name |
8-chloro-2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-7-[(3R)-oxolan-3-yl]oxy-3,4-dihydroisoquinolin-1-one
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| Structure |
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| Formula |
C22H25ClN2O4
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| Molecular Weight |
416.905
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| Canonical SMILES |
Cc1cc(C)c(CN2CCc3c(C)cc(O[C@@H]4CCOC4)c(Cl)c3C2=O)c(=O)[nH]1
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| InChI |
InChI=1S/C22H25ClN2O4/c1-12-8-14(3)24-21(26)17(12)10-25-6-4-16-13(2)9-18(20(23)19(16)22(25)27)29-15-5-7-28-11-15/h8-9,15H,4-7,10-11H2,1-3H3,(H,24,26)/t15-/m1/s1
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| InChIKey |
CWGSJRFOHKTJIO-OAHLLOKOSA-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