General Information of the Compound
| Compound ID |
CP0458670
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| Compound Name |
1-(2,6-Difluoro-benzyl)-3-[2-(3-isobutoxy-propylamino)-propyl]-5-(3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C29H37F2N3O4
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| Molecular Weight |
529.628
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| Canonical SMILES |
COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CC(C)NCCCOCC(C)C)c1=O
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| InChI |
InChI=1S/C29H37F2N3O4/c1-19(2)18-38-14-8-13-32-20(3)16-34-28(35)27(22-9-6-10-23(15-22)37-5)21(4)33(29(34)36)17-24-25(30)11-7-12-26(24)31/h6-7,9-12,15,19-20,32H,8,13-14,16-18H2,1-5H3
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| InChIKey |
HZTMVHRHUISCDR-UHFFFAOYSA-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