General Information of the Compound
| Compound ID |
CP0060089
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| Compound Name |
4-[1-[[3-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzoxepine-10-carbonyl]amino]cyclopropyl]benzoic acid
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| Structure |
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| Formula |
C26H20F3NO4
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| Molecular Weight |
467.443
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| Canonical SMILES |
OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1cccc2CCc3cc(ccc3Oc12)C(F)(F)F
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| InChI |
InChI=1S/C26H20F3NO4/c27-26(28,29)19-10-11-21-17(14-19)5-4-15-2-1-3-20(22(15)34-21)23(31)30-25(12-13-25)18-8-6-16(7-9-18)24(32)33/h1-3,6-11,14H,4-5,12-13H2,(H,30,31)(H,32,33)
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| InChIKey |
KJOLQGVJRKMIIO-UHFFFAOYSA-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