General Information of the Compound
| Compound ID |
CP0412527
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| Compound Name |
3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-ethyl-1H-indol-2-one
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| Structure |
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| Formula |
C23H28N2O
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| Molecular Weight |
348.49
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| Canonical SMILES |
CCC1(CCCCN2CCc3ccccc3C2)C(=O)Nc2ccccc12
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| InChI |
InChI=1S/C23H28N2O/c1-2-23(20-11-5-6-12-21(20)24-22(23)26)14-7-8-15-25-16-13-18-9-3-4-10-19(18)17-25/h3-6,9-12H,2,7-8,13-17H2,1H3,(H,24,26)
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| InChIKey |
REUFZKACGIXUOM-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