General Information of the Compound
| Compound ID |
CP0023355
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| Compound Name |
1-[4-[(4-ethylpyridin-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 |
C26H28N2O2
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| Molecular Weight |
400.522
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| Canonical SMILES |
CCc1ccnc(COc2ccc(cc2-c2ccc3CCNCCc3c2)C(C)=O)c1
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| InChI |
InChI=1S/C26H28N2O2/c1-3-19-8-13-28-24(14-19)17-30-26-7-6-21(18(2)29)16-25(26)23-5-4-20-9-11-27-12-10-22(20)15-23/h4-8,13-16,27H,3,9-12,17H2,1-2H3
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| InChIKey |
LYMYUDCINDYGMQ-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