General Information of the Compound
| Compound ID |
CP0206951
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| Compound Name |
(R)-5-(3-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methyl-3-(2-(methylamino)-2-phenylethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-fluorophenoxy)-3,3-dimethylpentanoic acid
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| Structure |
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| Formula |
C35H36F5N3O5
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| Molecular Weight |
673.679
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| Canonical SMILES |
CN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OCCC(C)(C)CC(O)=O)c1F)c1ccccc1
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| InChI |
InChI=1S/C35H36F5N3O5/c1-21-30(23-12-8-15-28(31(23)37)48-17-16-34(2,3)18-29(44)45)32(46)43(20-27(41-4)22-10-6-5-7-11-22)33(47)42(21)19-24-25(35(38,39)40)13-9-14-26(24)36/h5-15,27,41H,16-20H2,1-4H3,(H,44,45)/t27-/m0/s1
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| InChIKey |
IMUUVHRSPPDBTR-MHZLTWQESA-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