General Information of the Compound
Compound ID |
CP0463775
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Compound Name |
acrylic acid derivative, 15
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Structure |
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Formula |
C26H22O3S
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Molecular Weight |
414.526
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Canonical SMILES |
OC(=O)\C=C\c1ccc(Cc2cccs2)cc1OCCc1ccc2ccccc2c1
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InChI |
InChI=1S/C26H22O3S/c27-26(28)12-11-22-10-8-20(17-24-6-3-15-30-24)18-25(22)29-14-13-19-7-9-21-4-1-2-5-23(21)16-19/h1-12,15-16,18H,13-14,17H2,(H,27,28)/b12-11+
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InChIKey |
XGKGVJIBKHFKMF-VAWYXSNFSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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