General Information of the Compound
Compound ID |
CP0560371
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Compound Name |
3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-(2-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 |
CC1CCCCN1c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
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InChI |
InChI=1S/C26H30F2N4O2/c1-17-9-6-7-14-30(17)24-18(2)31(15-20-21(27)12-8-13-22(20)28)26(34)32(25(24)33)16-23(29)19-10-4-3-5-11-19/h3-5,8,10-13,17,23H,6-7,9,14-16,29H2,1-2H3/t17?,23-/m0/s1
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InChIKey |
BEAPPIQWTUCHCD-VXLWULRPSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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