General Information of the Compound
| Compound ID |
CP0463776
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| Compound Name |
phenylbutanoic acid analogue, 20
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| Structure |
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| Formula |
C26H26N2O3
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| Molecular Weight |
414.505
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| Canonical SMILES |
OC(=O)CCCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1
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| InChI |
InChI=1S/C26H26N2O3/c29-26(30)8-3-7-23-12-10-21(19-28-15-4-14-27-28)18-25(23)31-16-13-20-9-11-22-5-1-2-6-24(22)17-20/h1-2,4-6,9-12,14-15,17-18H,3,7-8,13,16,19H2,(H,29,30)
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| InChIKey |
ONAGVLNKMZQLAH-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: PT02988, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT02989, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT02345, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT02346, Prostaglandin E2 receptor EP4 subtype