General Information of the Compound
| Compound ID |
CP0503759
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| Compound Name |
3-((S)-2-Amino-2-cyclopentyl-ethyl)-1-(2,6-difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C26H28F3N3O3
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| Molecular Weight |
487.522
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| Canonical SMILES |
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](N)C2CCCC2)c1=O
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| InChI |
InChI=1S/C26H28F3N3O3/c1-15-23(17-9-5-12-22(35-2)24(17)29)25(33)32(14-21(30)16-7-3-4-8-16)26(34)31(15)13-18-19(27)10-6-11-20(18)28/h5-6,9-12,16,21H,3-4,7-8,13-14,30H2,1-2H3/t21-/m1/s1
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| InChIKey |
VDAURUXLOJUIQU-OAQYLSRUSA-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