General Information of the Compound
| Compound ID |
CP0537061
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| Compound Name |
N-[(3S,4S)-1-cyclohexyl-3-(hydroxymethyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
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| Formula |
C22H27F2N3O3
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| Molecular Weight |
419.472
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| Canonical SMILES |
OC[C@H]1CN(CC[C@@H]1NC(=O)c1cc(on1)-c1ccc(F)cc1F)C1CCCCC1
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| InChI |
InChI=1S/C22H27F2N3O3/c23-15-6-7-17(18(24)10-15)21-11-20(26-30-21)22(29)25-19-8-9-27(12-14(19)13-28)16-4-2-1-3-5-16/h6-7,10-11,14,16,19,28H,1-5,8-9,12-13H2,(H,25,29)/t14-,19+/m1/s1
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| InChIKey |
LXUXNQVHUKYGOX-KUHUBIRLSA-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