General Information of the Compound
| Compound ID |
CP0566194
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| Compound Name |
3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-(4-methylpiperidin-1-yl)pyrimidine-2,4-dione
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| Structure |
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| Formula |
C26H30F2N4O2
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| Molecular Weight |
468.548
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| Canonical SMILES |
CC1CCN(CC1)c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
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| InChI |
InChI=1S/C26H30F2N4O2/c1-17-11-13-30(14-12-17)24-18(2)31(15-20-21(27)9-6-10-22(20)28)26(34)32(25(24)33)16-23(29)19-7-4-3-5-8-19/h3-10,17,23H,11-16,29H2,1-2H3/t23-/m0/s1
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| InChIKey |
LYZFLXIYLBVKQY-QHCPKHFHSA-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