General Information of the Compound
| Compound ID |
CP0571875
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| Compound Name |
5,8-dichloro-2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-[(1R)-2-hydroxy-1-[(2R)-oxolan-2-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]4CCCO4)c(Cl)c3C2=O)c(=O)[nH]1
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| InChI |
InChI=1S/C23H26Cl2N2O4/c1-12-8-13(2)26-22(29)16(12)10-27-6-5-14-18(24)9-15(21(25)20(14)23(27)30)17(11-28)19-4-3-7-31-19/h8-9,17,19,28H,3-7,10-11H2,1-2H3,(H,26,29)/t17-,19+/m0/s1
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| InChIKey |
MGRNSIQUUQNPAS-PKOBYXMFSA-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