General Information of the Compound
| Compound ID |
CP0458532
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| Compound Name |
5,8-dichloro-2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-[(2R)-1-hydroxypropan-2-yl]-3,4-dihydroisoquinolin-1-one
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| Structure |
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| Formula |
C20H22Cl2N2O3
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| Molecular Weight |
409.313
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| Canonical SMILES |
C[C@@H](CO)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl
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| InChI |
InChI=1S/C20H22Cl2N2O3/c1-10-6-12(3)23-19(26)15(10)8-24-5-4-13-16(21)7-14(11(2)9-25)18(22)17(13)20(24)27/h6-7,11,25H,4-5,8-9H2,1-3H3,(H,23,26)/t11-/m0/s1
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| InChIKey |
GMVWARWJGLYCAS-NSHDSACASA-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