General Information of the Compound
| Compound ID |
CP0137684
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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)ethylamino)acetic acid
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| Structure |
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| Formula |
C32H31F5N4O5
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| Molecular Weight |
646.613
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| Canonical SMILES |
CN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OCCNCC(O)=O)c1F)c1ccccc1
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| InChI |
InChI=1S/C32H31F5N4O5/c1-19-28(21-10-6-13-26(29(21)34)46-15-14-39-16-27(42)43)30(44)41(18-25(38-2)20-8-4-3-5-9-20)31(45)40(19)17-22-23(32(35,36)37)11-7-12-24(22)33/h3-13,25,38-39H,14-18H2,1-2H3,(H,42,43)/t25-/m0/s1
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| InChIKey |
QTQHJYKPJJNULY-VWLOTQADSA-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