General Information of the Compound
| Compound ID |
CP0471634
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| Compound Name |
ethyl 3-[[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidine-1-carbonyl]amino]benzoate
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| Formula |
C29H30F3N3O6
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| Molecular Weight |
573.568
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| Canonical SMILES |
CCOC(=O)c1cccc(NC(=O)N2CCC(CC2)OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)c1
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| InChI |
InChI=1S/C29H30F3N3O6/c1-2-38-27(36)19-6-5-7-20(16-19)33-28(37)35-14-12-21(13-15-35)39-17-23-25(34-41-26(23)18-10-11-18)22-8-3-4-9-24(22)40-29(30,31)32/h3-9,16,18,21H,2,10-15,17H2,1H3,(H,33,37)
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| InChIKey |
WJJWXIAGVLHRRT-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