General Information of the Compound
| Compound ID |
CP0457456
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| Compound Name |
5-(azepan-1-yl)-6-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
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| Structure |
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| Formula |
C18H21N5O
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| Molecular Weight |
323.4
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| Canonical SMILES |
Cc1nc2n(ncc2c(=O)n1N1CCCCCC1)-c1ccccc1
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| InChI |
InChI=1S/C18H21N5O/c1-14-20-17-16(13-19-22(17)15-9-5-4-6-10-15)18(24)23(14)21-11-7-2-3-8-12-21/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3
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| InChIKey |
DDVYUZDACHYZPV-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: PT01994, Metabotropic glutamate receptor 1
Protein ID: PT00854, Metabotropic glutamate receptor 5