General Information of the Compound
| Compound ID |
CP0488210
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| Compound Name |
1-(2,6-Difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-3-[(R)-1-methyl-2-(2-methyl-benzylamino)-ethyl]-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C30H30F3N3O3
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| Molecular Weight |
537.582
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| Canonical SMILES |
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n([C@H](C)CNCc2ccccc2C)c1=O
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| InChI |
InChI=1S/C30H30F3N3O3/c1-18-9-5-6-10-21(18)16-34-15-19(2)36-29(37)27(22-11-7-14-26(39-4)28(22)33)20(3)35(30(36)38)17-23-24(31)12-8-13-25(23)32/h5-14,19,34H,15-17H2,1-4H3/t19-/m1/s1
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| InChIKey |
OCLDXLGPCMTSQA-LJQANCHMSA-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