General Information of the Compound
| Compound ID |
CP0494377
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| Compound Name |
acrylic acid derivative, 16
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| Structure |
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| Formula |
C28H24O4
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| Molecular Weight |
424.496
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| Canonical SMILES |
OC(=O)\C=C\c1ccc(COc2ccccc2)cc1OCCc1ccc2ccccc2c1
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| InChI |
InChI=1S/C28H24O4/c29-28(30)15-14-24-13-11-22(20-32-26-8-2-1-3-9-26)19-27(24)31-17-16-21-10-12-23-6-4-5-7-25(23)18-21/h1-15,18-19H,16-17,20H2,(H,29,30)/b15-14+
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| InChIKey |
HHJYFJGRTMWIMW-CCEZHUSRSA-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