General Information of the Compound
| Compound ID |
CP0579828
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| Compound Name |
[6-[3-(4-chlorophenyl)-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 |
C27H23ClF3N5O3
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| Molecular Weight |
557.96
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| Canonical SMILES |
FC(F)(F)COc1ccc(CN2CCN(CC2)C(=O)c2ccc(nc2)-c2nc(no2)-c2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C27H23ClF3N5O3/c28-21-6-3-19(4-7-21)24-33-25(39-34-24)23-10-5-20(15-32-23)26(37)36-13-11-35(12-14-36)16-18-1-8-22(9-2-18)38-17-27(29,30)31/h1-10,15H,11-14,16-17H2
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| InChIKey |
IMTJWWUDDTWQOT-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