General Information of the Compound
| Compound ID |
CP0466094
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| Compound Name |
2-(diethylamino)-5-mesityl-3,7-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
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| Structure |
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| Formula |
C21H28N4O
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| Molecular Weight |
352.482
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| Canonical SMILES |
CCN(CC)c1nc2n(C)cc(-c3c(C)cc(C)cc3C)c2c(=O)n1C
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| InChI |
InChI=1S/C21H28N4O/c1-8-25(9-2)21-22-19-18(20(26)24(21)7)16(12-23(19)6)17-14(4)10-13(3)11-15(17)5/h10-12H,8-9H2,1-7H3
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| InChIKey |
NFUGMSLRPOAPFB-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