General Information of the Compound
| Compound ID |
CP0942950
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| Compound Name |
6-{1-[3-(3-fluoro-5-methoxyphenoxy)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 |
C24H27F4N5O6
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| Molecular Weight |
557.501
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| Canonical SMILES |
COc1cc(F)cc(OC2CN(C(C)c3nc4c(cnn4C4CCOCC4)c(=O)[nH]3)C2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C22H26FN5O4.C2HF3O2/c1-13(27-11-18(12-27)32-17-8-14(23)7-16(9-17)30-2)20-25-21-19(22(29)26-20)10-24-28(21)15-3-5-31-6-4-15;3-2(4,5)1(6)7/h7-10,13,15,18H,3-6,11-12H2,1-2H3,(H,25,26,29);(H,6,7)
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| InChIKey |
CEGWPJAEJIACTI-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