General Information of the Compound
| Compound ID |
CP0864805
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| Compound Name |
6-(3,5-dimethylpiperidin-1-yl)-N-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C18H21FN6
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| Molecular Weight |
340.406
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| Canonical SMILES |
CC1CC(C)CN(c2nc(Nc3ccc(F)cc3)c3cn[nH]c3n2)C1
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| InChI |
InChI=1S/C18H21FN6/c1-11-7-12(2)10-25(9-11)18-22-16(15-8-20-24-17(15)23-18)21-14-5-3-13(19)4-6-14/h3-6,8,11-12H,7,9-10H2,1-2H3,(H2,20,21,22,23,24)
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| InChIKey |
IOVQFLUXSBRREX-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