General Information of the Compound
| Compound ID |
CP0912131
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| Compound Name |
N6-benzyl-N4-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
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| Structure |
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| Formula |
C18H15FN6
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| Molecular Weight |
334.358
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| Canonical SMILES |
Fc1ccc(Nc2nc(NCc3ccccc3)nc3[nH]ncc23)cc1
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| InChI |
InChI=1S/C18H15FN6/c19-13-6-8-14(9-7-13)22-16-15-11-21-25-17(15)24-18(23-16)20-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H3,20,21,22,23,24,25)
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| InChIKey |
OIDIVUKFWKFUKE-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