General Information of the Compound
| Compound ID |
CP0560317
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| Compound Name |
5,8-dichloro-7-[(S)-hydroxy(oxetan-3-yl)methyl]-2-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1-one
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| Structure |
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| Formula |
C21H22Cl2N2O5
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| Molecular Weight |
453.322
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| Canonical SMILES |
COc1cc(C)[nH]c(=O)c1CN1CCc2c(Cl)cc([C@@H](O)C3COC3)c(Cl)c2C1=O
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| InChI |
InChI=1S/C21H22Cl2N2O5/c1-10-5-16(29-2)14(20(27)24-10)7-25-4-3-12-15(22)6-13(18(23)17(12)21(25)28)19(26)11-8-30-9-11/h5-6,11,19,26H,3-4,7-9H2,1-2H3,(H,24,27)/t19-/m0/s1
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| InChIKey |
HOFBNXGXIBQPDO-IBGZPJMESA-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