General Information of the Compound
| Compound ID |
CP0688641
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| Compound Name |
2-(3-(Difluoromethoxy)phenyl)-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 |
C29H32F2N6O3
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| Molecular Weight |
550.61
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| Canonical SMILES |
Cc1ncccc1-c1nc2cn(-c3cccc(OC(F)F)c3)nc2c(=O)n1C[C@H]1CCCN(C[C@H]2CCCO2)C1
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| InChI |
InChI=1S/C29H32F2N6O3/c1-19-24(10-3-11-32-19)27-33-25-18-37(21-7-2-8-22(14-21)40-29(30)31)34-26(25)28(38)36(27)16-20-6-4-12-35(15-20)17-23-9-5-13-39-23/h2-3,7-8,10-11,14,18,20,23,29H,4-6,9,12-13,15-17H2,1H3/t20-,23+/m0/s1
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| InChIKey |
PBFIXCPNDGGMRZ-NZQKXSOJSA-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