General Information of the Compound
| Compound ID |
CP0507566
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| Compound Name |
3-(4-ethoxyphenyl)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]triazolo[4,5-d]pyrimidin-5-amine
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| Structure |
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| Formula |
C21H25N9O
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| Molecular Weight |
419.493
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| Canonical SMILES |
CCOc1ccc(cc1)-n1nnc2cnc(Nc3cnn(c3)C3CCN(C)CC3)nc12
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| InChI |
InChI=1S/C21H25N9O/c1-3-31-18-6-4-17(5-7-18)30-20-19(26-27-30)13-22-21(25-20)24-15-12-23-29(14-15)16-8-10-28(2)11-9-16/h4-7,12-14,16H,3,8-11H2,1-2H3,(H,22,24,25)
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| InChIKey |
GYJNFCRUTKYKNV-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
Protein ID: PT02162, Mitogen-activated protein kinase 6