General Information of the Compound
| Compound ID |
CP0376728
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| Compound Name |
[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
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| Structure |
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| Formula |
C19H19F4N3O2
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| Molecular Weight |
397.372
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| Canonical SMILES |
Fc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCC(CC1)C(F)(F)F
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| InChI |
InChI=1S/C19H19F4N3O2/c20-15-3-1-2-12(8-15)16-24-17(28-25-16)13-9-26(10-13)18(27)11-4-6-14(7-5-11)19(21,22)23/h1-3,8,11,13-14H,4-7,9-10H2
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| InChIKey |
WCQUFDJNNYCFES-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