General Information of the Compound
| Compound ID |
CP0517203
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| Compound Name |
(3S,4S)-1-cyclohexyl-4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C22H25F2N3O4
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| Molecular Weight |
433.455
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| Canonical SMILES |
OC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc(on1)-c1ccc(F)cc1F)C1CCCCC1
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| InChI |
InChI=1S/C22H25F2N3O4/c23-13-6-7-15(17(24)10-13)20-11-19(26-31-20)21(28)25-18-8-9-27(12-16(18)22(29)30)14-4-2-1-3-5-14/h6-7,10-11,14,16,18H,1-5,8-9,12H2,(H,25,28)(H,29,30)/t16-,18-/m0/s1
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| InChIKey |
HOMDHUSGKMICQM-WMZOPIPTSA-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