General Information of the Compound
| Compound ID |
CP0239441
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| Compound Name |
5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]pyridin-2-yl]pyrimidin-2-amine
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| Structure |
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| Formula |
C22H24N8O2
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| Molecular Weight |
432.488
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| Canonical SMILES |
CC(C)[C@@](C)(c1noc(n1)-c1cnn(c1)C1COC1)c1ccc(nc1)-c1cnc(N)nc1
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| InChI |
InChI=1S/C22H24N8O2/c1-13(2)22(3,16-4-5-18(24-9-16)14-6-25-21(23)26-7-14)20-28-19(32-29-20)15-8-27-30(10-15)17-11-31-12-17/h4-10,13,17H,11-12H2,1-3H3,(H2,23,25,26)/t22-/m1/s1
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| InChIKey |
BJCQNMRAVQDEOW-JOCHJYFZSA-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