General Information of the Compound
| Compound ID |
CP0767322
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| Compound Name |
rac-6-((1-Isopropylpiperidin-3-yl)methyl)-2-(4-methoxyphenyl)-5-o-tolyl-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
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| Structure |
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| Formula |
C28H33N5O2
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| Molecular Weight |
471.605
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| Canonical SMILES |
COc1ccc(-n2cc3nc(-c4ccccc4C)n(CC4CCCN(C(C)C)C4)c(=O)c3n2)cc1
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| InChI |
InChI=1S/C28H33N5O2/c1-19(2)31-15-7-9-21(16-31)17-32-27(24-10-6-5-8-20(24)3)29-25-18-33(30-26(25)28(32)34)22-11-13-23(35-4)14-12-22/h5-6,8,10-14,18-19,21H,7,9,15-17H2,1-4H3
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| InChIKey |
LYRYFQXBFWTGNA-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