General Information of the Compound
| Compound ID |
CP0423079
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| Compound Name |
methyl 4-[[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidine-1-carbonyl]amino]benzoate
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| Formula |
C28H28F3N3O6
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| Molecular Weight |
559.541
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| Canonical SMILES |
COC(=O)c1ccc(NC(=O)N2CCC(CC2)OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)cc1
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| InChI |
InChI=1S/C28H28F3N3O6/c1-37-26(35)18-8-10-19(11-9-18)32-27(36)34-14-12-20(13-15-34)38-16-22-24(33-40-25(22)17-6-7-17)21-4-2-3-5-23(21)39-28(29,30)31/h2-5,8-11,17,20H,6-7,12-16H2,1H3,(H,32,36)
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| InChIKey |
JCUIHEUEWLDFQP-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