General Information of the Compound
| Compound ID |
CP0315671
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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]acetonitrile
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| Structure |
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| Formula |
C21H21N9O
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| Molecular Weight |
415.461
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| Canonical SMILES |
CC(C)[C@@](C)(c1noc(n1)-c1cnn(CC#N)c1)c1ccc(nc1)-c1cnc(N)nc1
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| InChI |
InChI=1S/C21H21N9O/c1-13(2)21(3,16-4-5-17(24-11-16)14-8-25-20(23)26-9-14)19-28-18(31-29-19)15-10-27-30(12-15)7-6-22/h4-5,8-13H,7H2,1-3H3,(H2,23,25,26)/t21-/m1/s1
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| InChIKey |
KSJNUONZFOXVOM-OAQYLSRUSA-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