General Information of the Compound
| Compound ID |
CP0846048
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| Compound Name |
N-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C16H18FN7
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| Molecular Weight |
327.367
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| Canonical SMILES |
CN1CCN(c2nc(Nc3ccc(F)cc3)c3cn[nH]c3n2)CC1
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| InChI |
InChI=1S/C16H18FN7/c1-23-6-8-24(9-7-23)16-20-14(13-10-18-22-15(13)21-16)19-12-4-2-11(17)3-5-12/h2-5,10H,6-9H2,1H3,(H2,18,19,20,21,22)
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| InChIKey |
KYVNAKFDWJNJRZ-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