General Information of the Compound
| Compound ID |
CP0546414
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| Compound Name |
[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[6-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-3-yl]methanone
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| Structure |
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| Formula |
C28H23F6N5O3
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| Molecular Weight |
591.512
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| Canonical SMILES |
FC(F)(F)COc1ccc(CN2CCN(CC2)C(=O)c2ccc(nc2)-c2nc(no2)-c2ccccc2C(F)(F)F)cc1
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| InChI |
InChI=1S/C28H23F6N5O3/c29-27(30,31)17-41-20-8-5-18(6-9-20)16-38-11-13-39(14-12-38)26(40)19-7-10-23(35-15-19)25-36-24(37-42-25)21-3-1-2-4-22(21)28(32,33)34/h1-10,15H,11-14,16-17H2
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| InChIKey |
FZNUCRGPTJFOOB-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