General Information of the Compound
| Compound ID |
CP0293986
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| Compound Name |
4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((R)-2-aminopropoxy)-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl)-2-methylbut-3-yn-2-ol
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| Structure |
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| Formula |
C18H23N7O3
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| Molecular Weight |
385.428
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| Canonical SMILES |
CCn1c(nc2c(nc(OC[C@@H](C)N)cc12)C#CC(C)(C)O)-c1nonc1N
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| InChI |
InChI=1S/C18H23N7O3/c1-5-25-12-8-13(27-9-10(2)19)21-11(6-7-18(3,4)26)14(12)22-17(25)15-16(20)24-28-23-15/h8,10,26H,5,9,19H2,1-4H3,(H2,20,24)/t10-/m1/s1
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| InChIKey |
CGJRAACGTIIYDY-SNVBAGLBSA-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