General Information of the Compound
| Compound ID |
CP0539118
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| Compound Name |
2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]azetidin-1-yl]-1,3-benzothiazole-6-carboxylic acid
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| Structure |
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| Formula |
C25H20F3N3O5S
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| Molecular Weight |
531.512
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| Canonical SMILES |
OC(=O)c1ccc2nc(sc2c1)N1CC(C1)OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1
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| InChI |
InChI=1S/C25H20F3N3O5S/c26-25(27,28)35-19-4-2-1-3-16(19)21-17(22(36-30-21)13-5-6-13)12-34-15-10-31(11-15)24-29-18-8-7-14(23(32)33)9-20(18)37-24/h1-4,7-9,13,15H,5-6,10-12H2,(H,32,33)
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| InChIKey |
ULPJWHUJHCWGIB-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