General Information of the Compound
| Compound ID |
CP0769293
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| Compound Name |
7-(Benzo[b]thiophen-3-yl)-9-chloro-4-(pyridin-3-ylmethyl)-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine
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| Structure |
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| Formula |
C23H19ClN2OS
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| Molecular Weight |
406.938
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| Canonical SMILES |
Clc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2
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| InChI |
InChI=1S/C23H19ClN2OS/c24-21-11-17(20-15-28-22-6-2-1-5-19(20)22)10-18-14-26(8-9-27-23(18)21)13-16-4-3-7-25-12-16/h1-7,10-12,15H,8-9,13-14H2
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| InChIKey |
ATEFYIZFSCUCFR-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
Protein ID: PT01205, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype