General Information of the Compound
| Compound ID |
CP0127452
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| Compound Name |
2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)pyridin-3-yl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile
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| Structure |
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| Formula |
C21H19N9O
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| Molecular Weight |
413.445
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| Canonical SMILES |
C[C@](C1CC1)(c1noc(n1)-c1cnn(CC#N)c1)c1ccc(nc1)-c1cnc(N)nc1
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| InChI |
InChI=1S/C21H19N9O/c1-21(15-2-3-15,16-4-5-17(24-11-16)13-8-25-20(23)26-9-13)19-28-18(31-29-19)14-10-27-30(12-14)7-6-22/h4-5,8-12,15H,2-3,7H2,1H3,(H2,23,25,26)/t21-/m1/s1
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| InChIKey |
VJOIZFPFILRHQK-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