General Information of the Compound
| Compound ID |
CP0461415
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| Compound Name |
2-(4-methoxy-2-methylphenyl)-3,8-dimethyl-6-pentan-3-ylimidazo[1,5-a]pyrimidine
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| Structure |
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| Formula |
C21H27N3O
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| Molecular Weight |
337.467
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| Canonical SMILES |
CCC(CC)c1nc(C)c2nc(c(C)cn12)-c1ccc(OC)cc1C
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| InChI |
InChI=1S/C21H27N3O/c1-7-16(8-2)21-22-15(5)20-23-19(14(4)12-24(20)21)18-10-9-17(25-6)11-13(18)3/h9-12,16H,7-8H2,1-6H3
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| InChIKey |
KQAKZZOVMJLFRH-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