General Information of the Compound
| Compound ID |
CP0544410
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| Compound Name |
[6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyridin-3-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C25H22F3N5O3S
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| Molecular Weight |
529.544
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| Canonical SMILES |
FC(F)(F)COc1ccc(CN2CCN(CC2)C(=O)c2ccc(nc2)-c2nc(no2)-c2cccs2)cc1
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| InChI |
InChI=1S/C25H22F3N5O3S/c26-25(27,28)16-35-19-6-3-17(4-7-19)15-32-9-11-33(12-10-32)24(34)18-5-8-20(29-14-18)23-30-22(31-36-23)21-2-1-13-37-21/h1-8,13-14H,9-12,15-16H2
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| InChIKey |
PUWGKJCGUBIPNY-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