General Information of the Compound
| Compound ID |
CP0495134
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| Compound Name |
3-[(2-Methoxy-benzylamino)-methyl]-2-methyl-4-phenyl-2H-isoquinolin-1-one
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| Structure |
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| Formula |
C25H24N2O2
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| Molecular Weight |
384.479
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| Canonical SMILES |
COc1ccccc1CNCc1c(-c2ccccc2)c2ccccc2c(=O)n1C
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| InChI |
InChI=1S/C25H24N2O2/c1-27-22(17-26-16-19-12-6-9-15-23(19)29-2)24(18-10-4-3-5-11-18)20-13-7-8-14-21(20)25(27)28/h3-15,26H,16-17H2,1-2H3
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| InChIKey |
UXKKAOOCOPLVSF-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