General Information of the Compound
| Compound ID |
CP0046076
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| Compound Name |
5-{2-[2-(3,4-difluorophenyl)ethyl]pyridin-3-yl}-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
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| Structure |
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| Formula |
C22H15F5N4O
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| Molecular Weight |
446.379
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| Canonical SMILES |
Fc1ccc(CCc2ncccc2-c2nnc(Nc3cccc(c3)C(F)(F)F)o2)cc1F
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| InChI |
InChI=1S/C22H15F5N4O/c23-17-8-6-13(11-18(17)24)7-9-19-16(5-2-10-28-19)20-30-31-21(32-20)29-15-4-1-3-14(12-15)22(25,26)27/h1-6,8,10-12H,7,9H2,(H,29,31)
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| InChIKey |
FPGOIPSDOHTGRC-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