General Information of the Compound
| Compound ID |
CP0261517
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| Compound Name |
1-[3-[(2R)-2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-4-ol
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| Structure |
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| Formula |
C23H30N6O2
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| Molecular Weight |
422.533
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| Canonical SMILES |
CC(C)[C@@](C)(c1noc(n1)N1CCC(C)(O)CC1)c1ccc(cc1)-c1cnc(N)nc1
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| InChI |
InChI=1S/C23H30N6O2/c1-15(2)23(4,18-7-5-16(6-8-18)17-13-25-20(24)26-14-17)19-27-21(31-28-19)29-11-9-22(3,30)10-12-29/h5-8,13-15,30H,9-12H2,1-4H3,(H2,24,25,26)/t23-/m1/s1
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| InChIKey |
RSNHEUZILBTQNR-HSZRJFAPSA-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