General Information of the Compound
| Compound ID |
CP0440157
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| Compound Name |
2-Methyl-1-oxo-4-o-tolyl-1,2-dihydro-isoquinoline-3-carboxylic acid 2-methoxy-benzylamide
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| Structure |
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| Formula |
C26H24N2O3
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| Molecular Weight |
412.489
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| Canonical SMILES |
COc1ccccc1CNC(=O)c1c(-c2ccccc2C)c2ccccc2c(=O)n1C
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| InChI |
InChI=1S/C26H24N2O3/c1-17-10-4-6-12-19(17)23-20-13-7-8-14-21(20)26(30)28(2)24(23)25(29)27-16-18-11-5-9-15-22(18)31-3/h4-15H,16H2,1-3H3,(H,27,29)
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| InChIKey |
RPNSLZSITFBVPE-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