General Information of the Compound
| Compound ID |
CP0021278
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| Compound Name |
1-[4-[(4-ethoxypyridin-2-yl)methoxy]-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)phenyl]ethanone
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| Structure |
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| Formula |
C26H28N2O3
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| Molecular Weight |
416.521
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| Canonical SMILES |
CCOc1ccnc(COc2ccc(cc2-c2ccc3CCNCCc3c2)C(C)=O)c1
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| InChI |
InChI=1S/C26H28N2O3/c1-3-30-24-10-13-28-23(16-24)17-31-26-7-6-20(18(2)29)15-25(26)22-5-4-19-8-11-27-12-9-21(19)14-22/h4-7,10,13-16,27H,3,8-9,11-12,17H2,1-2H3
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| InChIKey |
HFPHJFBAGWOOFH-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