General Information of the Compound
| Compound ID |
CP0667402
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| Compound Name |
7-(Benzo[b]thiophen-3-yl)-9-methoxy-4-(4-(methylsulfonyl)-benzyl)-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine
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| Structure |
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| Formula |
C26H25NO4S2
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| Molecular Weight |
479.623
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| Canonical SMILES |
COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccc(S(C)(=O)=O)cc1)C2
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| InChI |
InChI=1S/C26H25NO4S2/c1-30-24-14-19(23-17-32-25-6-4-3-5-22(23)25)13-20-16-27(11-12-31-26(20)24)15-18-7-9-21(10-8-18)33(2,28)29/h3-10,13-14,17H,11-12,15-16H2,1-2H3
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| InChIKey |
MRVISABGLNKGQZ-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