General Information of the Compound
| Compound ID |
CP0534741
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| Compound Name |
5,8-dichloro-2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-[(1S)-2-hydroxy-1-[(3S)-oxolan-3-yl]ethyl]-3,4-dihydroisoquinolin-1-one
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| Structure |
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| Formula |
C23H26Cl2N2O4
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| Molecular Weight |
465.377
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| Canonical SMILES |
Cc1cc(C)c(CN2CCc3c(Cl)cc([C@@H](CO)[C@@H]4CCOC4)c(Cl)c3C2=O)c(=O)[nH]1
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| InChI |
InChI=1S/C23H26Cl2N2O4/c1-12-7-13(2)26-22(29)17(12)9-27-5-3-15-19(24)8-16(21(25)20(15)23(27)30)18(10-28)14-4-6-31-11-14/h7-8,14,18,28H,3-6,9-11H2,1-2H3,(H,26,29)/t14-,18+/m1/s1
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| InChIKey |
KAHGRMMSKGUZKR-KDOFPFPSSA-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