General Information of the Compound
| Compound ID |
CP0507013
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| Compound Name |
2-[3-[[5-cyclopropyl-3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-4-fluoro-1,3-benzothiazole-6-carboxylic acid
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| Structure |
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| Formula |
C29H26F3N3O5S
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| Molecular Weight |
585.604
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| Canonical SMILES |
OC(=O)c1cc(F)c2nc(sc2c1)N1C2CCC1CC(C2)OCc1c(onc1-c1ccccc1OC(F)F)C1CC1
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| InChI |
InChI=1S/C29H26F3N3O5S/c30-21-9-15(27(36)37)10-23-25(21)33-29(41-23)35-16-7-8-17(35)12-18(11-16)38-13-20-24(34-40-26(20)14-5-6-14)19-3-1-2-4-22(19)39-28(31)32/h1-4,9-10,14,16-18,28H,5-8,11-13H2,(H,36,37)
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| InChIKey |
CFFSIPYVZSRHPO-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