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

A1E5S

Summary
Name:methyl 1-[[1-[(4-fluorophenyl)methyl]indazol-3-yl]carbonylamino]cyclopropane-1-carboxylate
Formula:C20 H18 F N3 O3
Formal charge:0
Formula weight:367.374 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7methyl 1-[[1-[(4-fluorophenyl)methyl]indazol-3-yl]carbonylamino]cyclopropane-1-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C20H18FN3O3/c1-27-19(26)20(10-11-20)22-18(25)17-15-4-2-3-5-16(15)24(23-17)12-13-6-8-14(21)9-7-13/h2-9H,10-12H2,1H3,(H,22,25)
InChIKeyInChI1.06MEAQNWSDPJNGPF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COC(=O)C1(CC1)NC(=O)c2nn(Cc3ccc(F)cc3)c4ccccc24
SMILESCACTVS3.385COC(=O)C1(CC1)NC(=O)c2nn(Cc3ccc(F)cc3)c4ccccc24
SMILES_CANONICALOpenEye OEToolkits2.0.7COC(=O)C1(CC1)NC(=O)c2c3ccccc3n(n2)Cc4ccc(cc4)F
SMILESOpenEye OEToolkits2.0.7COC(=O)C1(CC1)NC(=O)c2c3ccccc3n(n2)Cc4ccc(cc4)F

256158

PDB entries from 2026-07-08

PDB statisticsPDBj update infoContact PDBjnumon