General Information of the Compound
| Compound ID |
CP0857944
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| Compound Name |
6-(4-(4-fluorophenyl)piperazin-1-yl)-N-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C22H22FN7O
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| Molecular Weight |
419.464
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| Canonical SMILES |
COc1cccc(Nc2nc(N3CCN(c4ccc(F)cc4)CC3)nc3[nH]ncc23)c1
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| InChI |
InChI=1S/C22H22FN7O/c1-31-18-4-2-3-16(13-18)25-20-19-14-24-28-21(19)27-22(26-20)30-11-9-29(10-12-30)17-7-5-15(23)6-8-17/h2-8,13-14H,9-12H2,1H3,(H2,24,25,26,27,28)
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| InChIKey |
IXGSJWCUFRFSHO-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