General Information of the Compound
| Compound ID |
CP0449417
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| Compound Name |
3-((R)-2-Cyclohexyl-2-isopropylamino-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 |
C30H36F3N3O3
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| Molecular Weight |
543.63
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| Canonical SMILES |
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](NC(C)C)C2CCCCC2)c1=O
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| InChI |
InChI=1S/C30H36F3N3O3/c1-18(2)34-25(20-10-6-5-7-11-20)17-36-29(37)27(21-12-8-15-26(39-4)28(21)33)19(3)35(30(36)38)16-22-23(31)13-9-14-24(22)32/h8-9,12-15,18,20,25,34H,5-7,10-11,16-17H2,1-4H3/t25-/m0/s1
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| InChIKey |
WQKPPGKSPXMKFK-VWLOTQADSA-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