General Information of the Compound
| Compound ID |
CP0857451
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| Compound Name |
N-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C17H21N7O
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| Molecular Weight |
339.403
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| Canonical SMILES |
COc1cccc(Nc2nc(N3CCN(C)CC3)nc3[nH]ncc23)c1
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| InChI |
InChI=1S/C17H21N7O/c1-23-6-8-24(9-7-23)17-20-15(14-11-18-22-16(14)21-17)19-12-4-3-5-13(10-12)25-2/h3-5,10-11H,6-9H2,1-2H3,(H2,18,19,20,21,22)
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| InChIKey |
LOPJVAGARVXXHR-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C