General Information of the Compound
| Compound ID |
CP0424007
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| Compound Name |
2-[1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
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| Structure |
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| Formula |
C13H11ClF3N3O
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| Molecular Weight |
317.698
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1Cl)N1CCC(C1)c1nnco1
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| InChI |
InChI=1S/C13H11ClF3N3O/c14-11-2-1-9(5-10(11)13(15,16)17)20-4-3-8(6-20)12-19-18-7-21-12/h1-2,5,7-8H,3-4,6H2
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| InChIKey |
WMEMFWBUJUGEKG-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