General Information of the Compound
| Compound ID |
CP0417945
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| Compound Name |
4-(4-((2-methoxyethyl)(propyl)amino)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-3-methylbenzamide
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| Structure |
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| Formula |
C21H28N6O2
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| Molecular Weight |
396.495
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| Canonical SMILES |
CCCN(CCOC)c1nc(C)nc2n(nc(C)c12)-c1ccc(cc1C)C(N)=O
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| InChI |
InChI=1S/C21H28N6O2/c1-6-9-26(10-11-29-5)20-18-14(3)25-27(21(18)24-15(4)23-20)17-8-7-16(19(22)28)12-13(17)2/h7-8,12H,6,9-11H2,1-5H3,(H2,22,28)
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| InChIKey |
UQYJVIVWKJSVEQ-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