Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

A1L6J

Summary
Name:~{N}-[4-[5-(3-aminophenyl)-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-(4-fluorophenyl)-1-methyl-3-oxidanylidene-pyrazole-4-carboxamide
Formula:C33 H25 F N8 O4
Formal charge:0
Formula weight:616.601 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[4-[5-(3-aminophenyl)-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-(4-fluorophenyl)-1-methyl-3-oxidanylidene-pyrazole-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C33H25FN8O4/c1-40-16-20(15-38-40)29-27(19-4-3-5-22(35)14-19)28-31(36-18-37-32(28)46-29)45-25-12-8-23(9-13-25)39-30(43)26-17-41(2)42(33(26)44)24-10-6-21(34)7-11-24/h3-18H,35H2,1-2H3,(H,39,43)
InChIKeyInChI1.06ROQFVBHLGRGANE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cn1cc(cn1)c2oc3ncnc(Oc4ccc(NC(=O)C5=CN(C)N(C5=O)c6ccc(F)cc6)cc4)c3c2c7cccc(N)c7
SMILESCACTVS3.385Cn1cc(cn1)c2oc3ncnc(Oc4ccc(NC(=O)C5=CN(C)N(C5=O)c6ccc(F)cc6)cc4)c3c2c7cccc(N)c7
SMILES_CANONICALOpenEye OEToolkits2.0.7Cn1cc(cn1)c2c(c3c(o2)ncnc3Oc4ccc(cc4)NC(=O)C5=CN(N(C5=O)c6ccc(cc6)F)C)c7cccc(c7)N
SMILESOpenEye OEToolkits2.0.7Cn1cc(cn1)c2c(c3c(o2)ncnc3Oc4ccc(cc4)NC(=O)C5=CN(N(C5=O)c6ccc(cc6)F)C)c7cccc(c7)N

250359

PDB entries from 2026-03-11

PDB statisticsPDBj update infoContact PDBjnumon