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G98

Summary
Name:4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
Formula:C24 H29 N7 O3
Formal charge:0
Formula weight:463.532 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
OpenEye OEToolkits1.7.64-[2-(4-azanyl-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-[(1S)-3-azanyl-1-phenyl-propoxy]-1-ethyl-imidazo[4,5-c]pyridin-4-yl]-2-methyl-but-3-yn-2-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC(C#Cc3nc(OC(c1ccccc1)CCN)cc2n(c(nc23)C=4NONC=4N)CC)(C)C
InChIInChI1.03InChI=1S/C24H29N7O3/c1-4-31-17-14-19(33-18(11-13-25)15-8-6-5-7-9-15)27-16(10-12-24(2,3)32)20(17)28-23(31)21-22(26)30-34-29-21/h5-9,14,18,29-30,32H,4,11,13,25-26H2,1-3H3/t18-/m0/s1
InChIKeyInChI1.03LYSNCXJOXXQEIU-SFHVURJKSA-N
SMILES_CANONICALCACTVS3.385CCn1c2cc(O[C@@H](CCN)c3ccccc3)nc(C#CC(C)(C)O)c2nc1C4=C(N)NON4
SMILESCACTVS3.385CCn1c2cc(O[CH](CCN)c3ccccc3)nc(C#CC(C)(C)O)c2nc1C4=C(N)NON4
SMILES_CANONICALOpenEye OEToolkits1.7.6CCn1c2cc(nc(c2nc1C3=C(NON3)N)C#CC(C)(C)O)O[C@@H](CCN)c4ccccc4
SMILESOpenEye OEToolkits1.7.6CCn1c2cc(nc(c2nc1C3=C(NON3)N)C#CC(C)(C)O)OC(CCN)c4ccccc4

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