General Information of the Compound
| Compound ID |
CP0408841
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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]piperidin-4-ol
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| Structure |
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| Formula |
C21H25N7O2
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| Molecular Weight |
407.478
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| Canonical SMILES |
C[C@](C1CC1)(c1noc(n1)N1CCC(O)CC1)c1ccc(nc1)-c1cnc(N)nc1
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| InChI |
InChI=1S/C21H25N7O2/c1-21(14-2-3-14,18-26-20(30-27-18)28-8-6-16(29)7-9-28)15-4-5-17(23-12-15)13-10-24-19(22)25-11-13/h4-5,10-12,14,16,29H,2-3,6-9H2,1H3,(H2,22,24,25)/t21-/m1/s1
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| InChIKey |
DPIJGXRUXODLAP-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