General Information of the Compound
| Compound ID |
CP0865019
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| Compound Name |
9-Methoxy-4-(pyridin-3-ylmethyl)-7-(o-tolyl)-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine
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| Structure |
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| Formula |
C23H24N2O2
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| Molecular Weight |
360.457
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| Canonical SMILES |
COc1cc(-c2ccccc2C)cc2c1OCCN(Cc1cccnc1)C2
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| InChI |
InChI=1S/C23H24N2O2/c1-17-6-3-4-8-21(17)19-12-20-16-25(15-18-7-5-9-24-14-18)10-11-27-23(20)22(13-19)26-2/h3-9,12-14H,10-11,15-16H2,1-2H3
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| InChIKey |
FEPFEAVHCFDEQT-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