General Information of the Compound
| Compound ID |
CP0395046
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| Compound Name |
1-(2,6-Difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-3-{(S)-2-[(3-methyl-thiophen-2-ylmethyl)-amino]-propyl}-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C28H28F3N3O3S
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| Molecular Weight |
543.611
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| Canonical SMILES |
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C)NCc2sccc2C)c1=O
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| InChI |
InChI=1S/C28H28F3N3O3S/c1-16-11-12-38-24(16)13-32-17(2)14-34-27(35)25(19-7-5-10-23(37-4)26(19)31)18(3)33(28(34)36)15-20-21(29)8-6-9-22(20)30/h5-12,17,32H,13-15H2,1-4H3/t17-/m0/s1
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| InChIKey |
UOSJSHOYCNDHMM-KRWDZBQOSA-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