General Information of the Compound
| Compound ID |
CP0541241
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| Compound Name |
1-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)pyridin-3-yl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol
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| Structure |
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| Formula |
C23H28N8O2
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| Molecular Weight |
448.531
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| Canonical SMILES |
CC(C)[C@@](C)(c1noc(n1)-c1cnn(CC(C)(C)O)c1)c1ccc(nc1)-c1cnc(N)nc1
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| InChI |
InChI=1S/C23H28N8O2/c1-14(2)23(5,17-6-7-18(25-11-17)15-8-26-21(24)27-9-15)20-29-19(33-30-20)16-10-28-31(12-16)13-22(3,4)32/h6-12,14,32H,13H2,1-5H3,(H2,24,26,27)/t23-/m1/s1
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| InChIKey |
VLDYGRYCABFURJ-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