General Information of the Compound
| Compound ID |
CP0573754
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| Compound Name |
[1-benzyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C42H33F6N7O4
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| Molecular Weight |
813.759
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| Canonical SMILES |
FC(F)(F)COc1ccc(CN2CCN(CC2)C(=O)c2cc3ccc(Oc4cnc(cn4)-c4nc(no4)-c4ccc(cc4)C(F)(F)F)cc3n2Cc2ccccc2)cc1
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| InChI |
InChI=1S/C42H33F6N7O4/c43-41(44,45)26-57-32-13-6-28(7-14-32)24-53-16-18-54(19-17-53)40(56)36-20-30-10-15-33(21-35(30)55(36)25-27-4-2-1-3-5-27)58-37-23-49-34(22-50-37)39-51-38(52-59-39)29-8-11-31(12-9-29)42(46,47)48/h1-15,20-23H,16-19,24-26H2
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| InChIKey |
LWSJQXAZNLLOKK-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