General Information of the Compound
| Compound ID |
CP0347336
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| Compound Name |
6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxymethyl]-1-methylquinolin-2-one
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| Structure |
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| Formula |
C25H28N2O2
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| Molecular Weight |
388.511
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| Canonical SMILES |
Cn1c2ccc(COc3ccc4CCN(CCc4c3)C3CCC3)cc2ccc1=O
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| InChI |
InChI=1S/C25H28N2O2/c1-26-24-9-5-18(15-21(24)7-10-25(26)28)17-29-23-8-6-19-11-13-27(22-3-2-4-22)14-12-20(19)16-23/h5-10,15-16,22H,2-4,11-14,17H2,1H3
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| InChIKey |
JBIYYPWYTHJKBM-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