General Information of the Compound
| Compound ID |
CP0474876
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| Compound Name |
2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-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)c1ccc2nc(sc2c1)N1C2CCC1CC(C2)OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1
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| InChI |
InChI=1S/C29H26F3N3O5S/c30-29(31,32)39-23-4-2-1-3-20(23)25-21(26(40-34-25)15-5-6-15)14-38-19-12-17-8-9-18(13-19)35(17)28-33-22-10-7-16(27(36)37)11-24(22)41-28/h1-4,7,10-11,15,17-19H,5-6,8-9,12-14H2,(H,36,37)
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| InChIKey |
NSVXPDGPDFEOHH-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