General Information of the Compound
| Compound ID |
CP0428946
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| Compound Name |
acrylic acid derivative, 11
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| Structure |
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| Formula |
C23H20N2O4
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| Molecular Weight |
388.423
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| Canonical SMILES |
OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1OCCc1cc2ccccc2o1
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| InChI |
InChI=1S/C23H20N2O4/c26-23(27)8-7-18-6-5-17(15-25-11-10-24-16-25)13-22(18)28-12-9-20-14-19-3-1-2-4-21(19)29-20/h1-8,10-11,13-14,16H,9,12,15H2,(H,26,27)/b8-7+
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| InChIKey |
WWCNZHFOUQGWKB-BQYQJAHWSA-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