General Information of the Compound
| Compound ID |
CP0418684
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| Compound Name |
3-[[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidine-1-carbonyl]amino]benzoic acid
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| Formula |
C27H26F3N3O6
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| Molecular Weight |
545.514
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| Canonical SMILES |
OC(=O)c1cccc(NC(=O)N2CCC(CC2)OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)c1
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| InChI |
InChI=1S/C27H26F3N3O6/c28-27(29,30)38-22-7-2-1-6-20(22)23-21(24(39-32-23)16-8-9-16)15-37-19-10-12-33(13-11-19)26(36)31-18-5-3-4-17(14-18)25(34)35/h1-7,14,16,19H,8-13,15H2,(H,31,36)(H,34,35)
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| InChIKey |
IRLXSIMZLQWWPP-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