General Information of the Compound
| Compound ID |
CP0436836
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| Compound Name |
2-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,3-benzothiazole-6-carboxylic acid
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| Structure |
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| Formula |
C27H24F3N3O5S
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| Molecular Weight |
559.566
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| Canonical SMILES |
OC(=O)c1ccc2nc(sc2c1)N1CCC(CC1)OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1
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| InChI |
InChI=1S/C27H24F3N3O5S/c28-27(29,30)37-21-4-2-1-3-18(21)23-19(24(38-32-23)15-5-6-15)14-36-17-9-11-33(12-10-17)26-31-20-8-7-16(25(34)35)13-22(20)39-26/h1-4,7-8,13,15,17H,5-6,9-12,14H2,(H,34,35)
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| InChIKey |
RPJGOVWDLAWXIW-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