General Information of the Compound
| Compound ID |
CP0550515
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| Compound Name |
4-[2-(4-amino-piperidin-1-yl)-5-(4- methoxyphenyl)-1-methyl-6-oxo- 1,6-dihydropyrimidin-4-yl]- benzonitrile
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| Structure |
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| Formula |
C24H24FN5O2
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| Molecular Weight |
433.487
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| Canonical SMILES |
COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C24H24FN5O2/c1-29-23(31)21(17-7-8-20(32-2)19(25)13-17)22(16-5-3-15(14-26)4-6-16)28-24(29)30-11-9-18(27)10-12-30/h3-8,13,18H,9-12,27H2,1-2H3
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| InChIKey |
DUOUFGLKGKXKSU-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