General Information of the Compound
| Compound ID |
CP0674612
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| Compound Name |
7-(Benzo[b]thiophen-3-yl)-9-methoxy-4-((6-methoxypyridin-3-yl)methyl)-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine
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| Structure |
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| Formula |
C25H24N2O3S
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| Molecular Weight |
432.545
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| Canonical SMILES |
COc1ccc(CN2CCOc3c(cc(-c4csc5ccccc45)cc3OC)C2)cn1
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| InChI |
InChI=1S/C25H24N2O3S/c1-28-22-12-18(21-16-31-23-6-4-3-5-20(21)23)11-19-15-27(9-10-30-25(19)22)14-17-7-8-24(29-2)26-13-17/h3-8,11-13,16H,9-10,14-15H2,1-2H3
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| InChIKey |
KLVVZVZZLSXXGK-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