General Information of the Compound
| Compound ID |
CP0542228
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| Compound Name |
2-[[4-(difluoromethoxy)phenyl]sulfonyl-[[4-[2-(trifluoromethoxy)phenyl]phenyl]methyl]amino]acetic acid
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| Structure |
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| Formula |
C23H18F5NO6S
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| Molecular Weight |
531.455
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| Canonical SMILES |
OC(=O)CN(Cc1ccc(cc1)-c1ccccc1OC(F)(F)F)S(=O)(=O)c1ccc(OC(F)F)cc1
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| InChI |
InChI=1S/C23H18F5NO6S/c24-22(25)34-17-9-11-18(12-10-17)36(32,33)29(14-21(30)31)13-15-5-7-16(8-6-15)19-3-1-2-4-20(19)35-23(26,27)28/h1-12,22H,13-14H2,(H,30,31)
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| InChIKey |
JSOUJBXQCAGVAV-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