General Information of the Compound
| Compound ID |
CP0423189
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| Compound Name |
4-[[[5-[(E)-prop-1-enyl]-3-[[4-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]amino]methyl]benzoic acid
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| Structure |
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| Formula |
C22H19F3N4O3
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| Molecular Weight |
444.413
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| Canonical SMILES |
C\C=C\c1nnn(Cc2ccc(cc2)C(F)(F)F)c1C(=O)NCc1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C22H19F3N4O3/c1-2-3-18-19(20(30)26-12-14-4-8-16(9-5-14)21(31)32)29(28-27-18)13-15-6-10-17(11-7-15)22(23,24)25/h2-11H,12-13H2,1H3,(H,26,30)(H,31,32)/b3-2+
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| InChIKey |
KIFOLGWAKJFARK-NSCUHMNNSA-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: PT01534, Prostaglandin E2 receptor EP4 subtype
Protein ID: PT02346, Prostaglandin E2 receptor EP4 subtype