3EJ

4-[(5-{2-[(3-fluorobenzyl)carbamoyl]pyridin-4-yl}-2H-tetrazol-2-yl)methyl]benzoic acid


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Chemical Component Summary

Name4-[(5-{2-[(3-fluorobenzyl)carbamoyl]pyridin-4-yl}-2H-tetrazol-2-yl)methyl]benzoic acid
Identifiers4-[[5-[2-[(3-fluorophenyl)methylcarbamoyl]pyridin-4-yl]-1,2,3,4-tetrazol-2-yl]methyl]benzoic acid
FormulaC22 H17 F N6 O3
Molecular Weight432.407
TypeNON-POLYMER
Isomeric SMILESc1cc(cc(c1)F)CNC(=O)c2cc(ccn2)c3nnn(n3)Cc4ccc(cc4)C(=O)O
InChIInChI=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)
InChIKeyVMAHZFWSXKJIIT-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count0
Bond Count52
Aromatic Bond Count24

Related Resource References

Resource NameReference
Pharos CHEMBL593034
PubChem 46225419
ChEMBL CHEMBL593034