General Information of the Compound
| Compound ID |
CP0846049
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| Compound Name |
6-(4-methylpiperazin-1-yl)-N-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C16H19N7
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| Molecular Weight |
309.377
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| Canonical SMILES |
CN1CCN(c2nc(Nc3ccccc3)c3cn[nH]c3n2)CC1
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| InChI |
InChI=1S/C16H19N7/c1-22-7-9-23(10-8-22)16-19-14(13-11-17-21-15(13)20-16)18-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,17,18,19,20,21)
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| InChIKey |
MBJTXSZAOYIPJR-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