General Information of the Compound
| Compound ID |
CP0955058
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| Compound Name |
6-(1-{3-[(4-fluoro-2,3-dihydro-1-benzofuran-7-yl)oxy]azetidin-1-yl}ethyl)-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, trifluoroacetate salt
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| Structure |
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| Formula |
C25H27F4N5O6
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| Molecular Weight |
569.512
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| Canonical SMILES |
CC(c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(Oc2ccc(F)c3c2OCC3)C1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H26FN5O4.C2HF3O2/c1-13(28-11-15(12-28)33-19-3-2-18(24)16-6-9-32-20(16)19)21-26-22-17(23(30)27-21)10-25-29(22)14-4-7-31-8-5-14;3-2(4,5)1(6)7/h2-3,10,13-15H,4-9,11-12H2,1H3,(H,26,27,30);(H,6,7)
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| InChIKey |
GCZZIKATCHBLBM-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