General Information of the Compound
| Compound ID |
CP0458529
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| Compound Name |
5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1-one
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| Synonyms |
PMID28394193-Compound-47
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| Structure |
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| Formula |
C22H21Cl2N3O4
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| Molecular Weight |
462.333
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| Canonical SMILES |
COc1cc(C)[nH]c(=O)c1CN1CCc2c(Cl)cc(-c3c(C)noc3C)c(Cl)c2C1=O
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| InChI |
InChI=1S/C22H21Cl2N3O4/c1-10-7-17(30-4)15(21(28)25-10)9-27-6-5-13-16(23)8-14(20(24)19(13)22(27)29)18-11(2)26-31-12(18)3/h7-8H,5-6,9H2,1-4H3,(H,25,28)
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| InChIKey |
HCXPMZKLLCLZQX-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
Clinical Information about the Compound