General Information of the Compound
| Compound ID |
CP0239945
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| Compound Name |
acrylic acid derivative, 12
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| Structure |
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| Formula |
C25H22N2O3
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| Molecular Weight |
398.462
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| Canonical SMILES |
OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1OCCc1ccc2ccccc2c1
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| InChI |
InChI=1S/C25H22N2O3/c28-25(29)10-9-22-8-6-20(17-27-13-12-26-18-27)16-24(22)30-14-11-19-5-7-21-3-1-2-4-23(21)15-19/h1-10,12-13,15-16,18H,11,14,17H2,(H,28,29)/b10-9+
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| InChIKey |
IWLZOZCKKUEBQR-MDZDMXLPSA-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