General Information of the Compound
| Compound ID |
CP0846050
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| Compound Name |
N6-allyl-N4-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
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| Structure |
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| Formula |
C14H13FN6
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| Molecular Weight |
284.298
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| Canonical SMILES |
C=CCNc1nc(Nc2ccc(F)cc2)c2cn[nH]c2n1
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| InChI |
InChI=1S/C14H13FN6/c1-2-7-16-14-19-12(11-8-17-21-13(11)20-14)18-10-5-3-9(15)4-6-10/h2-6,8H,1,7H2,(H3,16,17,18,19,20,21)
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| InChIKey |
DNTLBOBIFCOTQA-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