General Information of the Compound
| Compound ID |
CP0651928
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| Compound Name |
7-(Benzo[b]thiophen-3-yl)-4-(3-chlorobenzyl)-9-methoxy-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine
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| Structure |
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| Formula |
C25H22ClNO2S
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| Molecular Weight |
435.976
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| Canonical SMILES |
COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccc(Cl)c1)C2
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| InChI |
InChI=1S/C25H22ClNO2S/c1-28-23-13-18(22-16-30-24-8-3-2-7-21(22)24)12-19-15-27(9-10-29-25(19)23)14-17-5-4-6-20(26)11-17/h2-8,11-13,16H,9-10,14-15H2,1H3
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| InChIKey |
VWVLSBNFLGQLJF-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