General Information of the Compound
| Compound ID |
CP0533350
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| Compound Name |
3-[4-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methoxy]-3-fluorophenyl]-1-methylpyrazolo[3,4-d]pyrimidin-6-amine
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| Formula |
C20H23FN6O
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| Molecular Weight |
382.443
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| Canonical SMILES |
Cn1nc(-c2ccc(OCC3C[C@@H]4CC[C@H](C3)N4)c(F)c2)c2cnc(N)nc12
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| InChI |
InChI=1S/C20H23FN6O/c1-27-19-15(9-23-20(22)25-19)18(26-27)12-2-5-17(16(21)8-12)28-10-11-6-13-3-4-14(7-11)24-13/h2,5,8-9,11,13-14,24H,3-4,6-7,10H2,1H3,(H2,22,23,25)/t11?,13-,14+
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| InChIKey |
DSWZHRVQJSIDFD-QXMXGUDHSA-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