General Information of the Compound
| Compound ID |
CP0577919
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| Compound Name |
[1-ethyl-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 |
C37H31F6N7O4
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| Molecular Weight |
751.688
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| Canonical SMILES |
CCn1c(cc2ccc(Oc3cnc(cn3)-c3nc(no3)-c3ccc(cc3)C(F)(F)F)cc12)C(=O)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1
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| InChI |
InChI=1S/C37H31F6N7O4/c1-2-50-30-18-28(53-32-20-44-29(19-45-32)34-46-33(47-54-34)24-5-8-26(9-6-24)37(41,42)43)12-7-25(30)17-31(50)35(51)49-15-13-48(14-16-49)21-23-3-10-27(11-4-23)52-22-36(38,39)40/h3-12,17-20H,2,13-16,21-22H2,1H3
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| InChIKey |
QTJDMFGKADKYJX-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