General Information of the Compound
| Compound ID |
CP0060087
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| Compound Name |
4-[(1S)-1-[[3-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzoxepine-10-carbonyl]amino]ethyl]benzoic acid
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| Structure |
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| Formula |
C25H20F3NO4
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| Molecular Weight |
455.432
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| Canonical SMILES |
C[C@H](NC(=O)c1cccc2CCc3cc(ccc3Oc12)C(F)(F)F)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C25H20F3NO4/c1-14(15-5-8-17(9-6-15)24(31)32)29-23(30)20-4-2-3-16-7-10-18-13-19(25(26,27)28)11-12-21(18)33-22(16)20/h2-6,8-9,11-14H,7,10H2,1H3,(H,29,30)(H,31,32)/t14-/m0/s1
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| InChIKey |
HJIUSIWRPBXBTB-AWEZNQCLSA-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: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype