General Information of the Compound
| Compound ID |
CP0544246
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| Compound Name |
[6-[5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1-methylindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C36H32F3N7O5
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| Molecular Weight |
699.69
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| Canonical SMILES |
COc1ccccc1-c1noc(n1)-c1cnc(Oc2ccc3cc(C(=O)N4CCN(Cc5ccc(OCC(F)(F)F)cc5)CC4)n(C)c3c2)cn1
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| InChI |
InChI=1S/C36H32F3N7O5/c1-44-29-18-26(50-32-20-40-28(19-41-32)34-42-33(43-51-34)27-5-3-4-6-31(27)48-2)12-9-24(29)17-30(44)35(47)46-15-13-45(14-16-46)21-23-7-10-25(11-8-23)49-22-36(37,38)39/h3-12,17-20H,13-16,21-22H2,1-2H3
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| InChIKey |
MZYSEMZGTWWEDL-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