General Information of the Compound
| Compound ID |
CP0072691
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| Compound Name |
4-[[7-(1-benzothiophen-3-yl)-9-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]-1H-pyridin-2-one
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| Structure |
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| Formula |
C23H19ClN2O2S
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| Molecular Weight |
422.937
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| Canonical SMILES |
Clc1cc(cc2CN(Cc3cc[nH]c(=O)c3)CCOc12)-c1csc2ccccc12
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| InChI |
InChI=1S/C23H19ClN2O2S/c24-20-11-16(19-14-29-21-4-2-1-3-18(19)21)10-17-13-26(7-8-28-23(17)20)12-15-5-6-25-22(27)9-15/h1-6,9-11,14H,7-8,12-13H2,(H,25,27)
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| InChIKey |
HMLTYNGKIGEFDZ-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