General Information of the Compound
| Compound ID |
CP0880357
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| Compound Name |
6-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C22H22FN7
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| Molecular Weight |
403.465
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| Canonical SMILES |
Fc1ccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc3[nH]ncc23)cc1
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| InChI |
InChI=1S/C22H22FN7/c23-17-6-8-18(9-7-17)25-20-19-14-24-28-21(19)27-22(26-20)30-12-10-29(11-13-30)15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2,(H2,24,25,26,27,28)
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| InChIKey |
OOFJTZQVWIXPHP-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