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A1CWM

Summary
Name:1-[(3S)-3-amino-2,3-dihydro-1H-indol-1-yl]-3-phenylpropan-1-one
Formula:C17 H18 N2 O
Formal charge:0
Formula weight:266.338 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.521-[(3S)-3-amino-2,3-dihydro-1H-indol-1-yl]-3-phenylpropan-1-one
OpenEye OEToolkits3.1.0.01-[(3~{S})-3-azanyl-2,3-dihydroindol-1-yl]-3-phenyl-propan-1-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NC1CN(c2ccccc21)C(=O)CCc1ccccc1
InChIInChI1.06InChI=1S/C17H18N2O/c18-15-12-19(16-9-5-4-8-14(15)16)17(20)11-10-13-6-2-1-3-7-13/h1-9,15H,10-12,18H2/t15-/m1/s1
InChIKeyInChI1.06WGPNFVQWZHRMGQ-OAHLLOKOSA-N
SMILES_CANONICALCACTVS3.385N[C@@H]1CN(C(=O)CCc2ccccc2)c3ccccc13
SMILESCACTVS3.385N[CH]1CN(C(=O)CCc2ccccc2)c3ccccc13
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc(cc1)CCC(=O)N2C[C@H](c3c2cccc3)N
SMILESOpenEye OEToolkits3.1.0.0c1ccc(cc1)CCC(=O)N2CC(c3c2cccc3)N

248335

PDB entries from 2026-01-28

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