General Information of the Compound
| Compound ID |
CP0842290
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| Compound Name |
2-(3-Methoxyphenyl)-5-methyl-6-(((S)-1-(((R)-tetrahydrofuran-2-yl)methyl)piperidin-3-yl)methyl)-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
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| Structure |
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| Formula |
C24H31N5O3
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| Molecular Weight |
437.544
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| Canonical SMILES |
COc1cccc(-n2cc3nc(C)n(C[C@H]4CCCN(C[C@H]5CCCO5)C4)c(=O)c3n2)c1
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| InChI |
InChI=1S/C24H31N5O3/c1-17-25-22-16-29(19-7-3-8-20(12-19)31-2)26-23(22)24(30)28(17)14-18-6-4-10-27(13-18)15-21-9-5-11-32-21/h3,7-8,12,16,18,21H,4-6,9-11,13-15H2,1-2H3/t18-,21+/m0/s1
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| InChIKey |
CMIGRYJMWNTUCY-GHTZIAJQSA-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