General Information of the Compound
| Compound ID |
CP0568491
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| Compound Name |
methyl 2-[2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-1-yl]acetate
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| Structure |
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| Formula |
C38H31F6N7O6
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| Molecular Weight |
795.697
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| Canonical SMILES |
COC(=O)Cn1c(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/C38H31F6N7O6/c1-54-33(52)21-51-30-17-28(56-32-19-45-29(18-46-32)35-47-34(48-57-35)24-4-7-26(8-5-24)38(42,43)44)11-6-25(30)16-31(51)36(53)50-14-12-49(13-15-50)20-23-2-9-27(10-3-23)55-22-37(39,40)41/h2-11,16-19H,12-15,20-22H2,1H3
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| InChIKey |
IFSZWJIHGLWZIH-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