General Information of the Compound
| Compound ID |
CP0516413
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| Compound Name |
5-(4-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
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| Structure |
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| Formula |
C19H21ClN4O
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| Molecular Weight |
356.857
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| Canonical SMILES |
Cc1nc2n(CC3CCCCC3)ncc2c(=O)n1-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C19H21ClN4O/c1-13-22-18-17(11-21-23(18)12-14-5-3-2-4-6-14)19(25)24(13)16-9-7-15(20)8-10-16/h7-11,14H,2-6,12H2,1H3
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| InChIKey |
QWBQPMFOVCKZJK-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