General Information of the Compound
| Compound ID |
CP0438577
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| Compound Name |
4-[(1S)-1-[[5-phenyl-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]triazole-4-carbonyl]amino]ethyl]benzoic acid
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| Structure |
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| Formula |
C27H23F3N4O4
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| Molecular Weight |
524.499
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| Canonical SMILES |
C[C@H](NC(=O)c1c(nnn1CCOc1cccc(c1)C(F)(F)F)-c1ccccc1)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C27H23F3N4O4/c1-17(18-10-12-20(13-11-18)26(36)37)31-25(35)24-23(19-6-3-2-4-7-19)32-33-34(24)14-15-38-22-9-5-8-21(16-22)27(28,29)30/h2-13,16-17H,14-15H2,1H3,(H,31,35)(H,36,37)/t17-/m0/s1
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| InChIKey |
LNGZJFXUFKZNFE-KRWDZBQOSA-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
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype
Protein ID: PT02346, Prostaglandin E2 receptor EP4 subtype