General Information of the Compound
| Compound ID |
CP0858211
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| Compound Name |
7-(Benzo[b]thiophen-3-yl)-9-methoxy-4-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[f][1,4]oxazepin-3(2H)-one
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| Structure |
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| Formula |
C24H20N2O3S
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| Molecular Weight |
416.502
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| Canonical SMILES |
COc1cc(-c2csc3ccccc23)cc2c1OCC(=O)N(Cc1cccnc1)C2
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| InChI |
InChI=1S/C24H20N2O3S/c1-28-21-10-17(20-15-30-22-7-3-2-6-19(20)22)9-18-13-26(23(27)14-29-24(18)21)12-16-5-4-8-25-11-16/h2-11,15H,12-14H2,1H3
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| InChIKey |
SRFWGVMPDICHSF-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