General Information of the Compound
| Compound ID |
CP0271150
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| Compound Name |
1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-4-ol
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| Structure |
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| Formula |
C22H26N6O2
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| Molecular Weight |
406.49
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| Canonical SMILES |
CC1(O)CCN(CC1)c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
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| InChI |
InChI=1S/C22H26N6O2/c1-21(29)9-11-28(12-10-21)20-26-18(27-30-20)22(7-2-8-22)17-5-3-15(4-6-17)16-13-24-19(23)25-14-16/h3-6,13-14,29H,2,7-12H2,1H3,(H2,23,24,25)
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| InChIKey |
KWOZKOJXFLWQSE-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