General Information of the Compound
| Compound ID |
CP0340818
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| Compound Name |
8-benzyl-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one
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| Structure |
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| Formula |
C27H28N2O2
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| Molecular Weight |
412.533
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| Canonical SMILES |
Cc1cn(c2CC(C)(C)CC(=O)c12)-c1cc(Cc2ccccc2)c2C(=O)NCCc2c1
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| InChI |
InChI=1S/C27H28N2O2/c1-17-16-29(22-14-27(2,3)15-23(30)24(17)22)21-12-19-9-10-28-26(31)25(19)20(13-21)11-18-7-5-4-6-8-18/h4-8,12-13,16H,9-11,14-15H2,1-3H3,(H,28,31)
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| InChIKey |
LIRXYOSHRDKVEH-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