General Information of the Compound
| Compound ID |
CP0455298
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| Compound Name |
1-(4-methoxy-2-methylphenyl)-3,6-dimethyl-N-(5-((propylamino)methyl)-1H-imidazol-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C22H28N8O
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| Molecular Weight |
420.521
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| Canonical SMILES |
CCCNCc1cncn1Nc1nc(C)nc2n(nc(C)c12)-c1ccc(OC)cc1C
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| InChI |
InChI=1S/C22H28N8O/c1-6-9-23-11-17-12-24-13-29(17)28-21-20-15(3)27-30(22(20)26-16(4)25-21)19-8-7-18(31-5)10-14(19)2/h7-8,10,12-13,23H,6,9,11H2,1-5H3,(H,25,26,28)
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| InChIKey |
AWDUCKGMUNKMFY-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