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M48

Summary
Name:7-[2-[2-(3-fluorophenyl)ethylamino]ethyl]quinolin-2-amine
Formula:C19 H20 F N3
Formal charge:0
Formula weight:309.381 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.017-(2-{[2-(3-fluorophenyl)ethyl]amino}ethyl)quinolin-2-amine
OpenEye OEToolkits1.9.27-[2-[2-(3-fluorophenyl)ethylamino]ethyl]quinolin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1cccc(c1)CCNCCc2cc3nc(ccc3cc2)N
InChIInChI1.03InChI=1S/C19H20FN3/c20-17-3-1-2-14(12-17)8-10-22-11-9-15-4-5-16-6-7-19(21)23-18(16)13-15/h1-7,12-13,22H,8-11H2,(H2,21,23)
InChIKeyInChI1.03UAVGQDSBRIPETE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1ccc2ccc(CCNCCc3cccc(F)c3)cc2n1
SMILESCACTVS3.385Nc1ccc2ccc(CCNCCc3cccc(F)c3)cc2n1
SMILES_CANONICALOpenEye OEToolkits1.9.2c1cc(cc(c1)F)CCNCCc2ccc3ccc(nc3c2)N
SMILESOpenEye OEToolkits1.9.2c1cc(cc(c1)F)CCNCCc2ccc3ccc(nc3c2)N

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PDB entries from 2024-07-10

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