General Information of the Compound
| Compound ID |
CP0566216
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| Compound Name |
3-[3-fluoro-4-(3-piperidin-4-ylpropoxy)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-6-amine
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| Structure |
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| Formula |
C20H25FN6O
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| Molecular Weight |
384.459
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| Canonical SMILES |
Cn1nc(-c2ccc(OCCCC3CCNCC3)c(F)c2)c2cnc(N)nc12
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| InChI |
InChI=1S/C20H25FN6O/c1-27-19-15(12-24-20(22)25-19)18(26-27)14-4-5-17(16(21)11-14)28-10-2-3-13-6-8-23-9-7-13/h4-5,11-13,23H,2-3,6-10H2,1H3,(H2,22,24,25)
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| InChIKey |
YSLSSCOTQRLGCR-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