General Information of the Compound
| Compound ID |
CP0440482
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| Compound Name |
De-117
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| Synonyms |
DE-117
Omidenepag isopropyl
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| Structure |
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| Formula |
C26H28N6O4S
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| Molecular Weight |
520.615
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| Canonical SMILES |
CC(C)OC(=O)CNc1cccc(CN(Cc2ccc(cc2)-n2cccn2)S(=O)(=O)c2cccnc2)n1
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| InChI |
InChI=1S/C26H28N6O4S/c1-20(2)36-26(33)17-28-25-8-3-6-22(30-25)19-31(37(34,35)24-7-4-13-27-16-24)18-21-9-11-23(12-10-21)32-15-5-14-29-32/h3-16,20H,17-19H2,1-2H3,(H,28,30)
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| InChIKey |
VIQCWEGEHRBLAC-UHFFFAOYSA-N
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| CAS |
1187451-19-9
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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
Clinical Information about the Compound