Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

4L5

Summary
Name:2-methoxy-4-[6-(propan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
Formula:C17 H19 N5 O2
Formal charge:0
Formula weight:325.365 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-methoxy-4-[6-(propan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
OpenEye OEToolkits1.9.22-methoxy-4-[6-(propan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(ccc(C(N)=O)c(c1)OC)c3n2c(ccc(n2)NC(C)C)nc3
InChIInChI1.03InChI=1S/C17H19N5O2/c1-10(2)20-15-6-7-16-19-9-13(22(16)21-15)11-4-5-12(17(18)23)14(8-11)24-3/h4-10H,1-3H3,(H2,18,23)(H,20,21)
InChIKeyInChI1.03IBZJJCFFBCEGPS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cc(ccc1C(N)=O)c2cnc3ccc(NC(C)C)nn23
SMILESCACTVS3.385COc1cc(ccc1C(N)=O)c2cnc3ccc(NC(C)C)nn23
SMILES_CANONICALOpenEye OEToolkits1.9.2CC(C)Nc1ccc2ncc(n2n1)c3ccc(c(c3)OC)C(=O)N
SMILESOpenEye OEToolkits1.9.2CC(C)Nc1ccc2ncc(n2n1)c3ccc(c(c3)OC)C(=O)N

222415

數據於2024-07-10公開中

PDB statisticsPDBj update infoContact PDBjnumon