General Information of the Compound
| Compound ID |
CP0268676
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| Compound Name |
(R)-5-(3-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-amino-2-phenylethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-fluorophenoxy)pentanoic acid
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| Structure |
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| Formula |
C31H28F5N3O5
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| Molecular Weight |
617.571
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| Canonical SMILES |
N[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OCCCCC(O)=O)c1F)c1ccccc1
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| InChI |
InChI=1S/C31H28F5N3O5/c32-24-12-7-11-23(31(34,35)36)22(24)17-38-16-21(20-10-6-13-26(28(20)33)44-15-5-4-14-27(40)41)29(42)39(30(38)43)18-25(37)19-8-2-1-3-9-19/h1-3,6-13,16,25H,4-5,14-15,17-18,37H2,(H,40,41)/t25-/m0/s1
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| InChIKey |
KUCPVNZOVVPTBB-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