General Information of the Compound
| Compound ID |
CP0421513
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| Compound Name |
acrylic acid derivative, 7
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| Structure |
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| Formula |
C25H30O5
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| Molecular Weight |
410.51
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| Canonical SMILES |
Cc1ccc(\C=C\C(O)=O)c(OCCC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c1
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| InChI |
InChI=1S/C25H30O5/c1-15-6-7-19(8-9-22(26)27)21(14-15)29-13-12-25(5)11-10-20-18(4)23(28)16(2)17(3)24(20)30-25/h6-9,14,28H,10-13H2,1-5H3,(H,26,27)/b9-8+
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| InChIKey |
PKMNMSCDYRNEDJ-CMDGGOBGSA-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