Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

KTK

Summary
Name:4-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol
Formula:C15 H13 N3 O3
Formal charge:0
Formula weight:283.282 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol
OpenEye OEToolkits1.7.64-[3-azanyl-4-(4-hydroxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Oc3ccc(c2c(c1ccc(O)cc1)c(nn2)N)c(O)c3
InChIInChI1.03InChI=1S/C15H13N3O3/c16-15-13(8-1-3-9(19)4-2-8)14(17-18-15)11-6-5-10(20)7-12(11)21/h1-7,19-21H,(H3,16,17,18)
InChIKeyInChI1.03QJXCNANYVSBOBZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370Nc1n[nH]c(c2ccc(O)cc2O)c1c3ccc(O)cc3
SMILESCACTVS3.370Nc1n[nH]c(c2ccc(O)cc2O)c1c3ccc(O)cc3
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(ccc1c2c([nH]nc2N)c3ccc(cc3O)O)O
SMILESOpenEye OEToolkits1.7.6c1cc(ccc1c2c([nH]nc2N)c3ccc(cc3O)O)O

223532

數據於2024-08-07公開中

PDB statisticsPDBj update infoContact PDBjnumon