General Information of the Compound
| Compound ID |
CP0849232
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| Compound Name |
(R)-4-((7-(Benzo[b]thiophen-3-yl)-9-chloro-3-methyl-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)methyl)pyridin-2(1H)-one
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| Structure |
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| Formula |
C24H21ClN2O2S
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| Molecular Weight |
436.964
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| Canonical SMILES |
C[C@@H]1COc2c(Cl)cc(-c3csc4ccccc34)cc2CN1Cc1cc[nH]c(=O)c1
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| InChI |
InChI=1S/C24H21ClN2O2S/c1-15-13-29-24-18(12-27(15)11-16-6-7-26-23(28)8-16)9-17(10-21(24)25)20-14-30-22-5-3-2-4-19(20)22/h2-10,14-15H,11-13H2,1H3,(H,26,28)/t15-/m1/s1
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| InChIKey |
VLZBTJURPLDHNG-OAHLLOKOSA-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