General Information of the Compound
| Compound ID |
CP0477760
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| Compound Name |
3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-piperidin-1-ylpyrimidine-2,4-dione
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| Structure |
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| Formula |
C25H28F2N4O2
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| Molecular Weight |
454.521
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| Canonical SMILES |
Cc1c(N2CCCCC2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
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| InChI |
InChI=1S/C25H28F2N4O2/c1-17-23(29-13-6-3-7-14-29)24(32)31(16-22(28)18-9-4-2-5-10-18)25(33)30(17)15-19-20(26)11-8-12-21(19)27/h2,4-5,8-12,22H,3,6-7,13-16,28H2,1H3/t22-/m0/s1
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| InChIKey |
MXRPMUUAHLWKDS-QFIPXVFZSA-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