General Information of the Compound
| Compound ID |
CP0449173
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| Compound Name |
5-Dipropylamino-3-(2-fluoro-ethyl)-2-(2-methoxy-4,6-dimethyl-phenyl)-6-methyl-3H-pyrimidin-4-one
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| Structure |
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| Formula |
C22H32FN3O2
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| Molecular Weight |
389.515
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| Canonical SMILES |
CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)n(CCF)c1=O
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| InChI |
InChI=1S/C22H32FN3O2/c1-7-10-25(11-8-2)20-17(5)24-21(26(12-9-23)22(20)27)19-16(4)13-15(3)14-18(19)28-6/h13-14H,7-12H2,1-6H3
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| InChIKey |
JHBOFEJICZNWJV-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