General Information of the Compound
| Compound ID |
CP0859448
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| Compound Name |
2-(3-ethoxyphenyl)-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 |
C30H36N6O3
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| Molecular Weight |
528.657
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| Canonical SMILES |
CCOc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(C[C@H]5CCCO5)C4)c(=O)c3n2)c1
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| InChI |
InChI=1S/C30H36N6O3/c1-3-38-24-10-4-9-23(16-24)36-20-27-28(33-36)30(37)35(29(32-27)26-12-5-13-31-21(26)2)18-22-8-6-14-34(17-22)19-25-11-7-15-39-25/h4-5,9-10,12-13,16,20,22,25H,3,6-8,11,14-15,17-19H2,1-2H3/t22-,25+/m0/s1
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| InChIKey |
SDDYPSFGXCNMIG-WIOPSUGQSA-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