Chemical Component Summary

Name3-({6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-indole-2-carbonyl}amino)benzoic acid
Identifiers3-[[6-chloranyl-3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1~{H}-indol-2-yl]carbonylamino]benzoic acid
FormulaC33 H32 Cl2 N4 O4
Molecular Weight619.538
TypeNON-POLYMER
Isomeric SMILESCc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3[nH]c2C(=O)Nc4cccc(c4)C(=O)O)c5c(nn(c5C)C)C)Cl
InChIInChI=1S/C33H32Cl2N4O4/c1-17-14-23(15-18(2)29(17)35)43-13-7-10-24-25-11-12-26(34)28(27-19(3)38-39(5)20(27)4)30(25)37-31(24)32(40)36-22-9-6-8-21(16-22)33(41)42/h6,8-9,11-12,14-16,37H,7,10,13H2,1-5H3,(H,36,40)(H,41,42)
InChIKeyODMWLLDLJAHWIY-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count75
Chiral Atom Count0
Bond Count79
Aromatic Bond Count27

Related Resource References

Resource NameReference
Pharos CHEMBL4082389
PubChem 118394714
ChEMBL CHEMBL4082389