General Information of the Compound
| Compound ID |
CP0659811
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| Compound Name |
2-(3-Isopropoxyphenyl)-5-(2-methylpyridin-3-yl)-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 |
C31H38N6O3
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| Molecular Weight |
542.684
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| Canonical SMILES |
Cc1ncccc1-c1nc2cn(-c3cccc(OC(C)C)c3)nc2c(=O)n1C[C@H]1CCCN(C[C@H]2CCCO2)C1
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| InChI |
InChI=1S/C31H38N6O3/c1-21(2)40-25-10-4-9-24(16-25)37-20-28-29(34-37)31(38)36(30(33-28)27-12-5-13-32-22(27)3)18-23-8-6-14-35(17-23)19-26-11-7-15-39-26/h4-5,9-10,12-13,16,20-21,23,26H,6-8,11,14-15,17-19H2,1-3H3/t23-,26+/m0/s1
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| InChIKey |
OUBJWZUHGDDBFH-JYFHCDHNSA-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