General Information of the Compound
| Compound ID |
CP0848760
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| Compound Name |
N4-(4-fluorophenyl)-N6-(4-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
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| Structure |
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| Formula |
C19H17FN6
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| Molecular Weight |
348.385
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| Canonical SMILES |
Cc1ccc(CNc2nc(Nc3ccc(F)cc3)c3cn[nH]c3n2)cc1
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| InChI |
InChI=1S/C19H17FN6/c1-12-2-4-13(5-3-12)10-21-19-24-17(16-11-22-26-18(16)25-19)23-15-8-6-14(20)7-9-15/h2-9,11H,10H2,1H3,(H3,21,22,23,24,25,26)
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| InChIKey |
ZYVINOJEFXYQTC-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