General Information of the Compound
| Compound ID |
CP0576998
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| Compound Name |
[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methanone
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| Structure |
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| Formula |
C27H22F6N4O3S
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| Molecular Weight |
596.553
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| Canonical SMILES |
FC(F)(F)COc1ccc(CN2CCN(CC2)C(=O)c2ccc(s2)-c2nc(no2)-c2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C27H22F6N4O3S/c28-26(29,30)16-39-20-7-1-17(2-8-20)15-36-11-13-37(14-12-36)25(38)22-10-9-21(41-22)24-34-23(35-40-24)18-3-5-19(6-4-18)27(31,32)33/h1-10H,11-16H2
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| InChIKey |
BKBMWCUWNGTJNR-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