General Information of the Compound
Compound ID |
CP0082982
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Compound Name |
5-[4-[1-(5-piperidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine
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Structure |
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Formula |
C21H24N6O
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Molecular Weight |
376.464
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Canonical SMILES |
Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)N1CCCCC1
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InChI |
InChI=1S/C21H24N6O/c22-19-23-13-16(14-24-19)15-5-7-17(8-6-15)21(9-4-10-21)18-25-20(28-26-18)27-11-2-1-3-12-27/h5-8,13-14H,1-4,9-12H2,(H2,22,23,24)
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InChIKey |
ZGYKDZRNHTZJKX-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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