General Information of the Compound
| Compound ID |
CP0158186
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| Compound Name |
5-[4-[(1R,2R)-2-[(2-fluoro-4-methylsulfonylphenyl)methoxymethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
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| Structure |
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| Formula |
C22H30FN3O4S
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| Molecular Weight |
451.564
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| Canonical SMILES |
CC(C)c1noc(n1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cc1F)S(C)(=O)=O
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| InChI |
InChI=1S/C22H30FN3O4S/c1-14(2)21-24-22(30-25-21)26-8-6-15(7-9-26)19-10-17(19)13-29-12-16-4-5-18(11-20(16)23)31(3,27)28/h4-5,11,14-15,17,19H,6-10,12-13H2,1-3H3/t17-,19+/m0/s1
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| InChIKey |
CXAYQFMDBUKUOW-PKOBYXMFSA-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