General Information of the Compound
| Compound ID |
CP0944519
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| Compound Name |
7-(Benzo[b]thiophen-2-yl)-9-methoxy-4-(pyridin-3-ylmethyl)-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine
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| Structure |
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| Formula |
C24H22N2O2S
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| Molecular Weight |
402.519
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| Canonical SMILES |
COc1cc(-c2cc3ccccc3s2)cc2c1OCCN(Cc1cccnc1)C2
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| InChI |
InChI=1S/C24H22N2O2S/c1-27-21-12-19(23-13-18-6-2-3-7-22(18)29-23)11-20-16-26(9-10-28-24(20)21)15-17-5-4-8-25-14-17/h2-8,11-14H,9-10,15-16H2,1H3
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| InChIKey |
BMAXSDWPOYNUMS-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