General Information of the Compound
| Compound ID |
CP0420325
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| Compound Name |
4-[2-[3,5-dichloro-2-[(E)-3-hydroxyoct-1-enyl]-6-oxopyridin-1-yl]ethyl]benzoic acid
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| Structure |
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| Formula |
C22H25Cl2NO4
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| Molecular Weight |
438.351
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| Canonical SMILES |
CCCCCC(O)\C=C\c1c(Cl)cc(Cl)c(=O)n1CCc1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C22H25Cl2NO4/c1-2-3-4-5-17(26)10-11-20-18(23)14-19(24)21(27)25(20)13-12-15-6-8-16(9-7-15)22(28)29/h6-11,14,17,26H,2-5,12-13H2,1H3,(H,28,29)/b11-10+
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| InChIKey |
VJOKJQWLVBLRPZ-ZHACJKMWSA-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: PT01205, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype