General Information of the Compound
| Compound ID |
CP0268678
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| Compound Name |
(R)-2-((3-(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)propyl)(methyl)amino)acetic acid
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| Structure |
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| Formula |
C34H35F5N4O5
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| Molecular Weight |
674.667
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| Canonical SMILES |
CN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OCCCN(C)CC(O)=O)c1F)c1ccccc1
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| InChI |
InChI=1S/C34H35F5N4O5/c1-21-30(23-12-7-15-28(31(23)36)48-17-9-16-41(3)20-29(44)45)32(46)43(19-27(40-2)22-10-5-4-6-11-22)33(47)42(21)18-24-25(34(37,38)39)13-8-14-26(24)35/h4-8,10-15,27,40H,9,16-20H2,1-3H3,(H,44,45)/t27-/m0/s1
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| InChIKey |
ISYCOCCYYPQGPS-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