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YP3

Summary
Name:5-bromo-2-hydroxy-N-[(quinolin-6-yl)methyl]benzamide
Formula:C17 H13 Br N2 O2
Formal charge:0
Formula weight:357.201 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-bromo-2-hydroxy-N-[(quinolin-6-yl)methyl]benzamide
OpenEye OEToolkits2.0.75-bromanyl-2-oxidanyl-~{N}-(quinolin-6-ylmethyl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Brc1cc(c(O)cc1)C(=O)NCc1ccc2ncccc2c1
InChIInChI1.06InChI=1S/C17H13BrN2O2/c18-13-4-6-16(21)14(9-13)17(22)20-10-11-3-5-15-12(8-11)2-1-7-19-15/h1-9,21H,10H2,(H,20,22)
InChIKeyInChI1.06YSZSLARXPSZHMQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc(Br)cc1C(=O)NCc2ccc3ncccc3c2
SMILESCACTVS3.385Oc1ccc(Br)cc1C(=O)NCc2ccc3ncccc3c2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc2cc(ccc2nc1)CNC(=O)c3cc(ccc3O)Br
SMILESOpenEye OEToolkits2.0.7c1cc2cc(ccc2nc1)CNC(=O)c3cc(ccc3O)Br

223532

PDB entries from 2024-08-07

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