General Information of the Compound
| Compound ID |
CP0408352
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| Compound Name |
3-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)pyridin-3-yl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propanenitrile
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| Structure |
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| Formula |
C21H19N9O
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| Molecular Weight |
413.445
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| Canonical SMILES |
Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1cnn(CCC#N)c1
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| InChI |
InChI=1S/C21H19N9O/c22-7-2-8-30-13-15(11-27-30)18-28-19(29-31-18)21(5-1-6-21)16-3-4-17(24-12-16)14-9-25-20(23)26-10-14/h3-4,9-13H,1-2,5-6,8H2,(H2,23,25,26)
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| InChIKey |
ZGBUCTIEVJCOTA-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