General Information of the Compound
| Compound ID |
CP0651926
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| Compound Name |
7-(Benzo[b]thiophen-3-yl)-9-methoxy-4-(pyrimidin-5-ylmethyl)-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine
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| Structure |
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| Formula |
C23H21N3O2S
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| Molecular Weight |
403.507
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| Canonical SMILES |
COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cncnc1)C2
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| InChI |
InChI=1S/C23H21N3O2S/c1-27-21-9-17(20-14-29-22-5-3-2-4-19(20)22)8-18-13-26(6-7-28-23(18)21)12-16-10-24-15-25-11-16/h2-5,8-11,14-15H,6-7,12-13H2,1H3
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| InChIKey |
SRDXYULKCYBMDO-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