General Information of the Compound
| Compound ID |
CP0864138
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| Compound Name |
(R)-4-((9-Chloro-7-(5-fluoro-1H-indol-1-yl)-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 |
C24H21ClFN3O2
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| Molecular Weight |
437.902
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| Canonical SMILES |
C[C@@H]1COc2c(Cl)cc(-n3ccc4cc(F)ccc43)cc2CN1Cc1cc[nH]c(=O)c1
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| InChI |
InChI=1S/C24H21ClFN3O2/c1-15-14-31-24-18(13-28(15)12-16-4-6-27-23(30)8-16)10-20(11-21(24)25)29-7-5-17-9-19(26)2-3-22(17)29/h2-11,15H,12-14H2,1H3,(H,27,30)/t15-/m1/s1
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| InChIKey |
QWLAGTVXPWWBIB-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