General Information of the Compound
| Compound ID |
CP0078959
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| Compound Name |
2-[[4-(difluoromethoxy)phenyl]sulfonyl-[1-[4-[2-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]amino]acetic acid
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| Structure |
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| Formula |
C26H22F5NO6S
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| Molecular Weight |
571.52
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| Canonical SMILES |
OC(=O)CN(C1(CCC1)c1ccc(cc1)-c1ccccc1OC(F)(F)F)S(=O)(=O)c1ccc(OC(F)F)cc1
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| InChI |
InChI=1S/C26H22F5NO6S/c27-24(28)37-19-10-12-20(13-11-19)39(35,36)32(16-23(33)34)25(14-3-15-25)18-8-6-17(7-9-18)21-4-1-2-5-22(21)38-26(29,30)31/h1-2,4-13,24H,3,14-16H2,(H,33,34)
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| InChIKey |
YZMDTMVHQAUYGH-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: PT04933, Diacylglycerol lipase-alpha
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2