General Information of the Compound
| Compound ID |
CP0477511
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| Compound Name |
4-[(1S)-1-[[3-[2-(4-fluorophenoxy)ethyl]-5-phenyltriazole-4-carbonyl]amino]ethyl]benzoic acid
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| Structure |
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| Formula |
C26H23FN4O4
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| Molecular Weight |
474.492
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| Canonical SMILES |
C[C@H](NC(=O)c1c(nnn1CCOc1ccc(F)cc1)-c1ccccc1)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C26H23FN4O4/c1-17(18-7-9-20(10-8-18)26(33)34)28-25(32)24-23(19-5-3-2-4-6-19)29-30-31(24)15-16-35-22-13-11-21(27)12-14-22/h2-14,17H,15-16H2,1H3,(H,28,32)(H,33,34)/t17-/m0/s1
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| InChIKey |
KACXHPIOLAFDNG-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