General Information of the Compound
| Compound ID |
CP0392833
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| Compound Name |
1-[4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one
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| Structure |
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| Formula |
C21H26F3N3O2
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| Molecular Weight |
409.452
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)CCC(F)(F)F
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| InChI |
InChI=1S/C21H26F3N3O2/c1-20(2,3)16-6-4-14(5-7-16)18-25-19(29-26-18)15-9-12-27(13-10-15)17(28)8-11-21(22,23)24/h4-7,15H,8-13H2,1-3H3
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| InChIKey |
QRSDPAMAWVVOCD-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