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A1BXP

Summary
Name:(1s,3s)-3-amino-N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]cyclobutane-1-carboxamide
Formula:C16 H19 N3 O2
Formal charge:0
Formula weight:285.341 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(1s,3s)-3-amino-N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]cyclobutane-1-carboxamide
OpenEye OEToolkits3.1.0.03-azanyl-~{N}-[4-(hydroxymethyl)-2-methyl-quinolin-8-yl]cyclobutane-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NC1CC(C1)C(=O)Nc1cccc2c(cc(C)nc12)CO
InChIInChI1.06InChI=1S/C16H19N3O2/c1-9-5-11(8-20)13-3-2-4-14(15(13)18-9)19-16(21)10-6-12(17)7-10/h2-5,10,12,20H,6-8,17H2,1H3,(H,19,21)/t10-,12-
InChIKeyInChI1.06PWESDAOWBFUXFF-UMSPYCQHSA-N
SMILES_CANONICALCACTVS3.385Cc1cc(CO)c2cccc(NC(=O)[C@H]3C[C@H](N)C3)c2n1
SMILESCACTVS3.385Cc1cc(CO)c2cccc(NC(=O)[CH]3C[CH](N)C3)c2n1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cc1cc(c2cccc(c2n1)NC(=O)C3CC(C3)N)CO
SMILESOpenEye OEToolkits3.1.0.0Cc1cc(c2cccc(c2n1)NC(=O)C3CC(C3)N)CO

249697

PDB entries from 2026-02-25

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