General Information of the Compound
| Compound ID |
CP0430839
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| Compound Name |
acrylic acid derivative, 13
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| Structure |
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| Formula |
C26H25NO4
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| Molecular Weight |
415.489
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| Canonical SMILES |
OC(=O)\C=C\c1ccc(CN2CCCC2=O)cc1OCCc1ccc2ccccc2c1
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| InChI |
InChI=1S/C26H25NO4/c28-25-6-3-14-27(25)18-20-8-10-22(11-12-26(29)30)24(17-20)31-15-13-19-7-9-21-4-1-2-5-23(21)16-19/h1-2,4-5,7-12,16-17H,3,6,13-15,18H2,(H,29,30)/b12-11+
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| InChIKey |
UZFYCISOWWEDLU-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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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