General Information of the Compound
| Compound ID |
CP0444885
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| Compound Name |
methyl (3S,4S)-1-cyclohexyl-4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylate
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| Structure |
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| Formula |
C23H27F2N3O4
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| Molecular Weight |
447.482
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| Canonical SMILES |
COC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc(on1)-c1ccc(F)cc1F)C1CCCCC1
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| InChI |
InChI=1S/C23H27F2N3O4/c1-31-23(30)17-13-28(15-5-3-2-4-6-15)10-9-19(17)26-22(29)20-12-21(32-27-20)16-8-7-14(24)11-18(16)25/h7-8,11-12,15,17,19H,2-6,9-10,13H2,1H3,(H,26,29)/t17-,19-/m0/s1
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| InChIKey |
WVWBQXJWRJMISR-HKUYNNGSSA-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