General Information of the Compound
| Compound ID |
CP0116673
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| Compound Name |
8-(4-methoxyphenyl)-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 |
C27H28N2O3
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| Molecular Weight |
428.532
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(cc2CCNC(=O)c12)-n1cc(C)c2c1CC(C)(C)CC2=O
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| InChI |
InChI=1S/C27H28N2O3/c1-16-15-29(22-13-27(2,3)14-23(30)24(16)22)19-11-18-9-10-28-26(31)25(18)21(12-19)17-5-7-20(32-4)8-6-17/h5-8,11-12,15H,9-10,13-14H2,1-4H3,(H,28,31)
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| InChIKey |
MNPDTLDITGFXDG-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