General Information of the Compound
| Compound ID |
CP0568489
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| Compound Name |
[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]-[4-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C36H29F6N7O4
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| Molecular Weight |
737.661
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| Canonical SMILES |
Cn1c(cc2ccc(Oc3cnc(cn3)-c3nc(no3)-c3ccc(cc3)C(F)(F)F)cc12)C(=O)N1CCN(Cc2ccccc2OCC(F)(F)F)CC1
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| InChI |
InChI=1S/C36H29F6N7O4/c1-47-28-17-26(52-31-19-43-27(18-44-31)33-45-32(46-53-33)22-6-9-25(10-7-22)36(40,41)42)11-8-23(28)16-29(47)34(50)49-14-12-48(13-15-49)20-24-4-2-3-5-30(24)51-21-35(37,38)39/h2-11,16-19H,12-15,20-21H2,1H3
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| InChIKey |
JNUQGMSHUIKJNK-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