General Information of the Compound
| Compound ID |
CP0568486
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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-phenylethyl)piperazin-1-yl]methanone
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| Structure |
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| Formula |
C35H30F3N7O3
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| Molecular Weight |
653.665
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| Canonical SMILES |
Cn1c(cc2ccc(Oc3cnc(cn3)-c3nc(no3)-c3ccc(cc3)C(F)(F)F)cc12)C(=O)N1CCN(CCc2ccccc2)CC1
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| InChI |
InChI=1S/C35H30F3N7O3/c1-43-29-20-27(12-9-25(29)19-30(43)34(46)45-17-15-44(16-18-45)14-13-23-5-3-2-4-6-23)47-31-22-39-28(21-40-31)33-41-32(42-48-33)24-7-10-26(11-8-24)35(36,37)38/h2-12,19-22H,13-18H2,1H3
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| InChIKey |
PBLPNTZKDGSGIK-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