General Information of the Compound
| Compound ID |
CP0847879
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| Compound Name |
N-(4-fluorophenyl)-6-(4-phenylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C21H20FN7
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| Molecular Weight |
389.438
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| Canonical SMILES |
Fc1ccc(Nc2nc(N3CCN(c4ccccc4)CC3)nc3[nH]ncc23)cc1
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| InChI |
InChI=1S/C21H20FN7/c22-15-6-8-16(9-7-15)24-19-18-14-23-27-20(18)26-21(25-19)29-12-10-28(11-13-29)17-4-2-1-3-5-17/h1-9,14H,10-13H2,(H2,23,24,25,26,27)
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| InChIKey |
KDNSQBSCUAOXCF-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