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

6P0

Summary
Name:5-[1-(4-methoxyphenyl)cyclopropyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole
Formula:C18 H20 N4 O
Formal charge:0
Formula weight:308.378 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-[1-(4-methoxyphenyl)cyclopropyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole
OpenEye OEToolkits2.0.44-[3-[1-(4-methoxyphenyl)cyclopropyl]-1~{H}-pyrazol-5-yl]-1,3-dimethyl-pyrazole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1C(C1)(c3cc(c2cn(nc2C)C)nn3)c4ccc(cc4)OC
InChIInChI1.03InChI=1S/C18H20N4O/c1-12-15(11-22(2)21-12)16-10-17(20-19-16)18(8-9-18)13-4-6-14(23-3)7-5-13/h4-7,10-11H,8-9H2,1-3H3,(H,19,20)
InChIKeyInChI1.03ZLBUFDZQBDNLRH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(cc1)C2(CC2)c3cc([nH]n3)c4cn(C)nc4C
SMILESCACTVS3.385COc1ccc(cc1)C2(CC2)c3cc([nH]n3)c4cn(C)nc4C
SMILES_CANONICALOpenEye OEToolkits2.0.4Cc1c(cn(n1)C)c2cc(n[nH]2)C3(CC3)c4ccc(cc4)OC
SMILESOpenEye OEToolkits2.0.4Cc1c(cn(n1)C)c2cc(n[nH]2)C3(CC3)c4ccc(cc4)OC

224931

數據於2024-09-11公開中

PDB statisticsPDBj update infoContact PDBjnumon