General Information of the Compound
| Compound ID |
CP0395072
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| Compound Name |
3-((R)-2-Amino-4,4-dimethyl-pentyl)-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 |
C26H30F3N3O3
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| Molecular Weight |
489.538
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| Canonical SMILES |
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)CC(C)(C)C)c1=O
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| InChI |
InChI=1S/C26H30F3N3O3/c1-15-22(17-8-6-11-21(35-5)23(17)29)24(33)32(13-16(30)12-26(2,3)4)25(34)31(15)14-18-19(27)9-7-10-20(18)28/h6-11,16H,12-14,30H2,1-5H3/t16-/m1/s1
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| InChIKey |
BLEIPVXIKXIBNC-MRXNPFEDSA-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