General Information of the Compound
| Compound ID |
CP0568490
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| Compound Name |
[4-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone
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| Structure |
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| Formula |
C36H28F7N7O4
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| Molecular Weight |
755.651
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| Canonical SMILES |
Cn1c(cc2ccc(Oc3cnc(cn3)-c3nc(no3)-c3ccc(cc3)C(F)(F)F)cc12)C(=O)N1CCN(Cc2ccc(OCC(F)(F)F)c(F)c2)CC1
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| InChI |
InChI=1S/C36H28F7N7O4/c1-48-28-16-25(53-31-18-44-27(17-45-31)33-46-32(47-54-33)22-3-6-24(7-4-22)36(41,42)43)8-5-23(28)15-29(48)34(51)50-12-10-49(11-13-50)19-21-2-9-30(26(37)14-21)52-20-35(38,39)40/h2-9,14-18H,10-13,19-20H2,1H3
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| InChIKey |
HIIWUFACZDNNBA-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