Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

3NG

Summary
Name:5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid
Formula:C19 H12 Cl N3 O2
Formal charge:0
Formula weight:349.77 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid
OpenEye OEToolkits1.7.05-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c3cc2nc(c1ccncc1c2cc3)Nc4cccc(Cl)c4
SMILES_CANONICALCACTVS3.370OC(=O)c1ccc2c(c1)nc(Nc3cccc(Cl)c3)c4ccncc24
SMILESCACTVS3.370OC(=O)c1ccc2c(c1)nc(Nc3cccc(Cl)c3)c4ccncc24
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O
SMILESOpenEye OEToolkits1.7.0c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O
InChIInChI1.03InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
InChIKeyInChI1.03MUOKSQABCJCOPU-UHFFFAOYSA-N

227561

PDB entries from 2024-11-20

PDB statisticsPDBj update infoContact PDBjnumon