General Information of the Compound
| Compound ID |
CP0684546
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| Compound Name |
4-((7-(Benzo[b]thiophen-3-yl)-9-methoxy-2,3-dihydrobenzo-[f][1,4]oxazepin-4(5H)-yl)methyl)benzonitrile
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| Structure |
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| Formula |
C26H22N2O2S
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| Molecular Weight |
426.541
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| Canonical SMILES |
COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccc(C#N)cc1)C2
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| InChI |
InChI=1S/C26H22N2O2S/c1-29-24-13-20(23-17-31-25-5-3-2-4-22(23)25)12-21-16-28(10-11-30-26(21)24)15-19-8-6-18(14-27)7-9-19/h2-9,12-13,17H,10-11,15-16H2,1H3
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| InChIKey |
LKTPOROUTWFBMT-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