General Information of the Compound
| Compound ID |
CP0083001
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| Compound Name |
2-[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]-N,N-dimethylacetamide
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| Structure |
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| Formula |
C23H27N9O2
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| Molecular Weight |
461.53
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| Canonical SMILES |
CC(C)[C@@](C)(c1noc(n1)-c1cnn(CC(=O)N(C)C)c1)c1ccc(nc1)-c1cnc(N)nc1
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| InChI |
InChI=1S/C23H27N9O2/c1-14(2)23(3,17-6-7-18(25-11-17)15-8-26-22(24)27-9-15)21-29-20(34-30-21)16-10-28-32(12-16)13-19(33)31(4)5/h6-12,14H,13H2,1-5H3,(H2,24,26,27)/t23-/m1/s1
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| InChIKey |
ZWLGACPSDYMCHY-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