General Information of the Compound
| Compound ID |
CP0520182
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| Compound Name |
5-(4-chlorophenyl)-6-methyl-1-(pyrimidin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
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| Structure |
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| Formula |
C16H11ClN6O
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| Molecular Weight |
338.758
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| Canonical SMILES |
Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1cncnc1
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| InChI |
InChI=1S/C16H11ClN6O/c1-10-21-15-14(8-20-23(15)13-6-18-9-19-7-13)16(24)22(10)12-4-2-11(17)3-5-12/h2-9H,1H3
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| InChIKey |
XSMBZTWKVDUZDI-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