General Information of the Compound
| Compound ID |
CP0529871
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| Compound Name |
5-mesityl-3,7-dimethyl-2-(piperidin-1-yl)-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
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| Structure |
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| Formula |
C22H28N4O
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| Molecular Weight |
364.493
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| Canonical SMILES |
Cc1cc(C)c(-c2cn(C)c3nc(N4CCCCC4)n(C)c(=O)c23)c(C)c1
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| InChI |
InChI=1S/C22H28N4O/c1-14-11-15(2)18(16(3)12-14)17-13-24(4)20-19(17)21(27)25(5)22(23-20)26-9-7-6-8-10-26/h11-13H,6-10H2,1-5H3
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| InChIKey |
JKDYFLMNAAJCRU-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