General Information of the Compound
| Compound ID |
CP0427431
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| Compound Name |
3-[2-amino-2-(1-methylpiperidin-4-yl)ethyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione
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| Structure |
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| Formula |
C27H31F3N4O3
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| Molecular Weight |
516.564
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| Canonical SMILES |
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CC(N)C2CCN(C)CC2)c1=O
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| InChI |
InChI=1S/C27H31F3N4O3/c1-16-24(18-6-4-9-23(37-3)25(18)30)26(35)34(15-22(31)17-10-12-32(2)13-11-17)27(36)33(16)14-19-20(28)7-5-8-21(19)29/h4-9,17,22H,10-15,31H2,1-3H3
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| InChIKey |
XIDPLLZWBXZAIQ-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