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

L09

Summary
Name:N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA
Formula:C20 H22 Cl N5 O2
Formal charge:0
Formula weight:399.874 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-(3-tert-butyl-1H-pyrazol-5-yl)-3-{4-chloro-3-[(pyridin-3-yloxy)methyl]phenyl}urea
OpenEye OEToolkits1.5.01-(5-tert-butyl-2H-pyrazol-3-yl)-3-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(Nc1cc(nn1)C(C)(C)C)Nc2cc(c(Cl)cc2)COc3cccnc3
SMILES_CANONICALCACTVS3.341CC(C)(C)c1cc([nH]n1)NC(=O)Nc2ccc(Cl)c(COc3cccnc3)c2
SMILESCACTVS3.341CC(C)(C)c1cc([nH]n1)NC(=O)Nc2ccc(Cl)c(COc3cccnc3)c2
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)(C)c1cc([nH]n1)NC(=O)Nc2ccc(c(c2)COc3cccnc3)Cl
SMILESOpenEye OEToolkits1.5.0CC(C)(C)c1cc([nH]n1)NC(=O)Nc2ccc(c(c2)COc3cccnc3)Cl
InChIInChI1.03InChI=1S/C20H22ClN5O2/c1-20(2,3)17-10-18(26-25-17)24-19(27)23-14-6-7-16(21)13(9-14)12-28-15-5-4-8-22-11-15/h4-11H,12H2,1-3H3,(H3,23,24,25,26,27)
InChIKeyInChI1.03NTMADESEDXKNFZ-UHFFFAOYSA-N

224931

數據於2024-09-11公開中

PDB statisticsPDBj update infoContact PDBjnumon