General Information of the Compound
| Compound ID |
CP0021627
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| Compound Name |
4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-(pyrrolidin-1-ylmethyl)-1H-imidazo[4,5-c]pyridin-4-yl)-2-methylbut-3-yn-2-ol
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| Structure |
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| Formula |
C20H25N7O2
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| Molecular Weight |
395.467
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| Canonical SMILES |
CCn1c(nc2c(nc(CN3CCCC3)cc12)C#CC(C)(C)O)-c1nonc1N
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| InChI |
InChI=1S/C20H25N7O2/c1-4-27-15-11-13(12-26-9-5-6-10-26)22-14(7-8-20(2,3)28)16(15)23-19(27)17-18(21)25-29-24-17/h11,28H,4-6,9-10,12H2,1-3H3,(H2,21,25)
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| InChIKey |
JHBURLBWOXZZGX-UHFFFAOYSA-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