General Information of the Compound
| Compound ID |
CP0466262
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| Compound Name |
4-[[4-(6-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenoxy]methyl]bicyclo[2.2.2]octan-1-ol
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| Formula |
C21H24FN5O2
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| Molecular Weight |
397.454
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| Canonical SMILES |
Cn1nc(-c2ccc(OCC34CCC(O)(CC3)CC4)c(F)c2)c2cnc(N)nc12
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| InChI |
InChI=1S/C21H24FN5O2/c1-27-18-14(11-24-19(23)25-18)17(26-27)13-2-3-16(15(22)10-13)29-12-20-4-7-21(28,8-5-20)9-6-20/h2-3,10-11,28H,4-9,12H2,1H3,(H2,23,24,25)
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| InChIKey |
LYETXVFKGDZVBY-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