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734

Summary
Name:5-chloro-7-[(R)-furan-2-yl(pyridin-2-ylamino)methyl]quinolin-8-ol
Formula:C19 H14 Cl N3 O2
Formal charge:0
Formula weight:351.786 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-chloro-7-[(R)-furan-2-yl(pyridin-2-ylamino)methyl]quinolin-8-ol
OpenEye OEToolkits1.7.05-chloro-7-[(R)-furan-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1cc(c(O)c2ncccc12)C(Nc3ncccc3)c4occc4
SMILES_CANONICALCACTVS3.370Oc1c(cc(Cl)c2cccnc12)[C@@H](Nc3ccccn3)c4occc4
SMILESCACTVS3.370Oc1c(cc(Cl)c2cccnc12)[CH](Nc3ccccn3)c4occc4
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccnc(c1)N[C@@H](c2ccco2)c3cc(c4cccnc4c3O)Cl
SMILESOpenEye OEToolkits1.7.0c1ccnc(c1)NC(c2ccco2)c3cc(c4cccnc4c3O)Cl
InChIInChI1.03InChI=1S/C19H14ClN3O2/c20-14-11-13(19(24)18-12(14)5-3-9-22-18)17(15-6-4-10-25-15)23-16-7-1-2-8-21-16/h1-11,17,24H,(H,21,23)/t17-/m1/s1
InChIKeyInChI1.03SZEZEZHDZJZXEC-QGZVFWFLSA-N

218853

PDB entries from 2024-04-24

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