General Information of the Compound
| Compound ID |
CP0475867
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| Compound Name |
1-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)pyridin-3-yl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-4-ol
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| Structure |
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| Formula |
C22H27N7O2
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| Molecular Weight |
421.505
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| Canonical SMILES |
C[C@](C1CC1)(c1noc(n1)N1CCC(C)(O)CC1)c1ccc(nc1)-c1cnc(N)nc1
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| InChI |
InChI=1S/C22H27N7O2/c1-21(30)7-9-29(10-8-21)20-27-18(28-31-20)22(2,15-3-4-15)16-5-6-17(24-13-16)14-11-25-19(23)26-12-14/h5-6,11-13,15,30H,3-4,7-10H2,1-2H3,(H2,23,25,26)/t22-/m1/s1
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| InChIKey |
XZEFTJASDCGSII-JOCHJYFZSA-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