3HS

5-[4-({[4-(5-carboxyfuran-2-yl)-2-chlorobenzoyl]amino}methyl)phenyl]-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid


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Chemical Component Summary

Name5-[4-({[4-(5-carboxyfuran-2-yl)-2-chlorobenzoyl]amino}methyl)phenyl]-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid
Identifiers5-[4-[[[4-(5-carboxyfuran-2-yl)-2-chloranyl-phenyl]carbonylamino]methyl]phenyl]-1-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid
FormulaC29 H18 Cl3 N3 O6
Molecular Weight610.829
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1CNC(=O)c2ccc(cc2Cl)c3ccc(o3)C(=O)O)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O
InChIInChI=1S/C29H18Cl3N3O6/c30-20-8-6-18(12-22(20)32)35-24(13-23(34-35)28(37)38)16-3-1-15(2-4-16)14-33-27(36)19-7-5-17(11-21(19)31)25-9-10-26(41-25)29(39)40/h1-13H,14H2,(H,33,36)(H,37,38)(H,39,40)
InChIKeyKMDVWGXHTUXJOW-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count59
Chiral Atom Count0
Bond Count63
Aromatic Bond Count28

Related Resource References

Resource NameReference
PubChem 72734893
ChEMBL CHEMBL3088231