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3EJ

Summary
Name:4-[(5-{2-[(3-fluorobenzyl)carbamoyl]pyridin-4-yl}-2H-tetrazol-2-yl)methyl]benzoic acid
Formula:C22 H17 F N6 O3
Formal charge:0
Formula weight:432.407 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.024-[(5-{2-[(3-fluorobenzyl)carbamoyl]pyridin-4-yl}-2H-tetrazol-2-yl)methyl]benzoic acid
OpenEye OEToolkits1.6.14-[[5-[2-[(3-fluorophenyl)methylcarbamoyl]pyridin-4-yl]-1,2,3,4-tetrazol-2-yl]methyl]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02Fc1cccc(c1)CNC(=O)c4nccc(c2nn(nn2)Cc3ccc(C(=O)O)cc3)c4
SMILES_CANONICALCACTVS3.352OC(=O)c1ccc(Cn2nnc(n2)c3ccnc(c3)C(=O)NCc4cccc(F)c4)cc1
SMILESCACTVS3.352OC(=O)c1ccc(Cn2nnc(n2)c3ccnc(c3)C(=O)NCc4cccc(F)c4)cc1
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc(cc(c1)F)CNC(=O)c2cc(ccn2)c3nnn(n3)Cc4ccc(cc4)C(=O)O
SMILESOpenEye OEToolkits1.7.0c1cc(cc(c1)F)CNC(=O)c2cc(ccn2)c3nnn(n3)Cc4ccc(cc4)C(=O)O
InChIInChI1.03InChI=1S/C22H17FN6O3/c23-18-3-1-2-15(10-18)12-25-21(30)19-11-17(8-9-24-19)20-26-28-29(27-20)13-14-4-6-16(7-5-14)22(31)32/h1-11H,12-13H2,(H,25,30)(H,31,32)
InChIKeyInChI1.03VMAHZFWSXKJIIT-UHFFFAOYSA-N

224931

數據於2024-09-11公開中

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