General Information of the Compound
| Compound ID |
CP0526080
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| Compound Name |
2-Methyl-1-oxo-4-o-tolyl-1,2-dihydro-isoquinoline-3-carboxylic acid (3,5-dimethyl-benzyl)-methyl-amide
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| Structure |
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| Formula |
C28H28N2O2
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| Molecular Weight |
424.544
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| Canonical SMILES |
CN(Cc1cc(C)cc(C)c1)C(=O)c1c(-c2ccccc2C)c2ccccc2c(=O)n1C
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| InChI |
InChI=1S/C28H28N2O2/c1-18-14-19(2)16-21(15-18)17-29(4)28(32)26-25(22-11-7-6-10-20(22)3)23-12-8-9-13-24(23)27(31)30(26)5/h6-16H,17H2,1-5H3
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| InChIKey |
SBIVMYBYKVLWQU-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