General Information of the Compound
| Compound ID |
CP0460378
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| Compound Name |
5-Dipropylamino-3,6-dimethyl-2-(2,4,6-trimethyl-phenyl)-3H-pyrimidin-4-one
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| Structure |
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| Formula |
C21H31N3O
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| Molecular Weight |
341.499
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| Canonical SMILES |
CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2C)n(C)c1=O
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| InChI |
InChI=1S/C21H31N3O/c1-8-10-24(11-9-2)19-17(6)22-20(23(7)21(19)25)18-15(4)12-14(3)13-16(18)5/h12-13H,8-11H2,1-7H3
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| InChIKey |
GZPBFHFNKRUBFK-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