General Information of the Compound
| Compound ID |
CP0059491
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| Compound Name |
8-tert-butyl-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 |
C24H30N2O2
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| Molecular Weight |
378.516
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| Canonical SMILES |
Cc1cn(c2CC(C)(C)CC(=O)c12)-c1cc2CCNC(=O)c2c(c1)C(C)(C)C
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| InChI |
InChI=1S/C24H30N2O2/c1-14-13-26(18-11-24(5,6)12-19(27)20(14)18)16-9-15-7-8-25-22(28)21(15)17(10-16)23(2,3)4/h9-10,13H,7-8,11-12H2,1-6H3,(H,25,28)
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| InChIKey |
FLANSLWVOMGKFX-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