General Information of the Compound
| Compound ID |
CP0086828
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| Compound Name |
(R)-2-((2-(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)ethyl)(methyl)amino)acetic acid
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| Structure |
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| Formula |
C33H33F5N4O5
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| Molecular Weight |
660.64
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| Canonical SMILES |
CN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OCCN(C)CC(O)=O)c1F)c1ccccc1
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| InChI |
InChI=1S/C33H33F5N4O5/c1-20-29(22-11-7-14-27(30(22)35)47-16-15-40(3)19-28(43)44)31(45)42(18-26(39-2)21-9-5-4-6-10-21)32(46)41(20)17-23-24(33(36,37)38)12-8-13-25(23)34/h4-14,26,39H,15-19H2,1-3H3,(H,43,44)/t26-/m0/s1
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| InChIKey |
LINFTOFILYRPLU-SANMLTNESA-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