General Information of the Compound
| Compound ID |
CP0846793
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| Compound Name |
7-(Benzo[b]thiophen-3-yl)-9-isopropoxy-4-(pyridin-3-ylmethyl)-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine
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| Structure |
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| Formula |
C26H26N2O2S
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| Molecular Weight |
430.573
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| Canonical SMILES |
CC(C)Oc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2
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| InChI |
InChI=1S/C26H26N2O2S/c1-18(2)30-24-13-20(23-17-31-25-8-4-3-7-22(23)25)12-21-16-28(10-11-29-26(21)24)15-19-6-5-9-27-14-19/h3-9,12-14,17-18H,10-11,15-16H2,1-2H3
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| InChIKey |
HQJHTRNXNSGGOK-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