General Information of the Compound
| Compound ID |
CP0429802
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| Compound Name |
1-[5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridin-2-yl]ethanone
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| Structure |
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| Formula |
C21H24N2O2
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| Molecular Weight |
336.435
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| Canonical SMILES |
CC(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)cn1
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| InChI |
InChI=1S/C21H24N2O2/c1-15(24)21-8-7-20(14-22-21)25-19-6-5-16-9-11-23(18-3-2-4-18)12-10-17(16)13-19/h5-8,13-14,18H,2-4,9-12H2,1H3
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| InChIKey |
WHVIDDBOZMFAKP-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