General Information of the Compound
| Compound ID |
CP0842288
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| Compound Name |
5-(2-Methylpyridin-3-yl)-2-phenyl-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 |
C28H32N6O2
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| Molecular Weight |
484.604
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| Canonical SMILES |
Cc1ncccc1-c1nc2cn(-c3ccccc3)nc2c(=O)n1C[C@H]1CCCN(C[C@H]2CCCO2)C1
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| InChI |
InChI=1S/C28H32N6O2/c1-20-24(12-5-13-29-20)27-30-25-19-34(22-9-3-2-4-10-22)31-26(25)28(35)33(27)17-21-8-6-14-32(16-21)18-23-11-7-15-36-23/h2-5,9-10,12-13,19,21,23H,6-8,11,14-18H2,1H3/t21-,23+/m0/s1
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| InChIKey |
OEMOAFYQHHFAMW-JTHBVZDNSA-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