General Information of the Compound
| Compound ID |
CP0514598
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| Compound Name |
2-((1-(4-methoxy-2-methylphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)(propyl)amino)-N,N-dimethylacetamide
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| Structure |
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| Formula |
C22H30N6O2
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| Molecular Weight |
410.522
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| Canonical SMILES |
CCCN(CC(=O)N(C)C)c1nc(C)nc2n(nc(C)c12)-c1ccc(OC)cc1C
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| InChI |
InChI=1S/C22H30N6O2/c1-8-11-27(13-19(29)26(5)6)21-20-15(3)25-28(22(20)24-16(4)23-21)18-10-9-17(30-7)12-14(18)2/h9-10,12H,8,11,13H2,1-7H3
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| InChIKey |
DVVGUYHFRZYNFY-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