General Information of the Compound
| Compound ID |
CP0013062
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| Compound Name |
(3-((8-(1-ethyl-5-methyl-1H- pyrazol-4-yl)-9-methyl-9H-purin-6- yl)methyl)pyrrolidin-1- yl)(tetrahydro-2H-pyran-4- yl)methanone
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| Structure |
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| Formula |
C23H31N7O2
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| Molecular Weight |
437.548
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| Canonical SMILES |
CCn1ncc(c1C)-c1nc2c(CC3CCN(C3)C(=O)C3CCOCC3)ncnc2n1C
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| InChI |
InChI=1S/C23H31N7O2/c1-4-30-15(2)18(12-26-30)21-27-20-19(24-14-25-22(20)28(21)3)11-16-5-8-29(13-16)23(31)17-6-9-32-10-7-17/h12,14,16-17H,4-11,13H2,1-3H3
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| InChIKey |
HQDBDXZOWDIWKU-UHFFFAOYSA-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