General Information of the Compound
| Compound ID |
CP0137688
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| Compound Name |
(R)-ethyl 2-(4-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-amino-2-phenylethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)benzylamino)acetate
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| Structure |
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| Formula |
C31H30F4N4O4
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| Molecular Weight |
598.597
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| Canonical SMILES |
CCOC(=O)CNCc1ccc(cc1)-c1cn(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
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| InChI |
InChI=1S/C31H30F4N4O4/c1-2-43-28(40)16-37-15-20-11-13-21(14-12-20)23-17-38(18-24-25(31(33,34)35)9-6-10-26(24)32)30(42)39(29(23)41)19-27(36)22-7-4-3-5-8-22/h3-14,17,27,37H,2,15-16,18-19,36H2,1H3/t27-/m0/s1
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| InChIKey |
CGMLBVPTUVDZPK-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