General Information of the Compound
| Compound ID |
CP0847878
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| Compound Name |
2-(4-(4-(4-fluorophenylamino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperazin-1-yl)ethanol
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| Structure |
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| Formula |
C17H20FN7O
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| Molecular Weight |
357.393
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| Canonical SMILES |
OCCN1CCN(c2nc(Nc3ccc(F)cc3)c3cn[nH]c3n2)CC1
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| InChI |
InChI=1S/C17H20FN7O/c18-12-1-3-13(4-2-12)20-15-14-11-19-23-16(14)22-17(21-15)25-7-5-24(6-8-25)9-10-26/h1-4,11,26H,5-10H2,(H2,19,20,21,22,23)
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| InChIKey |
DIMLKEYFPZRTJO-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