General Information of the Compound
| Compound ID |
CP0891665
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| Compound Name |
9-Methoxy-7-(naphthalen-1-yl)-4-(pyridin-3-ylmethyl)-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine
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| Structure |
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| Formula |
C26H24N2O2
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| Molecular Weight |
396.49
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| Canonical SMILES |
COc1cc(-c2cccc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2
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| InChI |
InChI=1S/C26H24N2O2/c1-29-25-15-21(24-10-4-8-20-7-2-3-9-23(20)24)14-22-18-28(12-13-30-26(22)25)17-19-6-5-11-27-16-19/h2-11,14-16H,12-13,17-18H2,1H3
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| InChIKey |
VWCUSINIWCVGHM-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