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SummaryGeometryRelated PDB entries

ZL5

Summary
Name:3-[2-fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-[(2-methyl-2H-tetrazol-5-yl)methyl]-1H-indazole
Formula:C18 H14 F4 N6
Formal charge:0
Formula weight:390.338 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-[2-fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-[(2-methyl-2H-tetrazol-5-yl)methyl]-1H-indazole
OpenEye OEToolkits2.0.73-[2-fluoranyl-5-(trifluoromethyl)phenyl]-7-methyl-1-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]indazole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Cn1nc(Cn2nc(c3cc(ccc3F)C(F)(F)F)c3cccc(C)c23)nn1
InChIInChI1.03InChI=1S/C18H14F4N6/c1-10-4-3-5-12-16(13-8-11(18(20,21)22)6-7-14(13)19)25-28(17(10)12)9-15-23-26-27(2)24-15/h3-8H,9H2,1-2H3
InChIKeyInChI1.03MMEFXWUINPSTPN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cn1nnc(Cn2nc(c3cc(ccc3F)C(F)(F)F)c4cccc(C)c24)n1
SMILESCACTVS3.385Cn1nnc(Cn2nc(c3cc(ccc3F)C(F)(F)F)c4cccc(C)c24)n1
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cccc2c1n(nc2c3cc(ccc3F)C(F)(F)F)Cc4nnn(n4)C
SMILESOpenEye OEToolkits2.0.7Cc1cccc2c1n(nc2c3cc(ccc3F)C(F)(F)F)Cc4nnn(n4)C

224931

PDB entries from 2024-09-11

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