General Information of the Compound
| Compound ID |
CP0466260
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| Compound Name |
3-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-6-amine
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| Formula |
C18H21FN6O
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| Molecular Weight |
356.405
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| Canonical SMILES |
Cn1nc(-c2ccc(OCC3CCNCC3)c(F)c2)c2cnc(N)nc12
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| InChI |
InChI=1S/C18H21FN6O/c1-25-17-13(9-22-18(20)23-17)16(24-25)12-2-3-15(14(19)8-12)26-10-11-4-6-21-7-5-11/h2-3,8-9,11,21H,4-7,10H2,1H3,(H2,20,22,23)
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| InChIKey |
BISUVPPEXVSXQF-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