9EA

7-(3-{[4-(4-acetylpiperazin-1-yl)phenoxy]methyl}-1,5-dimethyl-1H-pyrazol-4-yl)-3-{3-[(naphthalen-1-yl)oxy]propyl}-1-[(pyridin-3-yl)methyl]-1H-indole-2-carboxylic acid


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Chemical Component Summary

Name7-(3-{[4-(4-acetylpiperazin-1-yl)phenoxy]methyl}-1,5-dimethyl-1H-pyrazol-4-yl)-3-{3-[(naphthalen-1-yl)oxy]propyl}-1-[(pyridin-3-yl)methyl]-1H-indole-2-carboxylic acid
Identifiers7-[3-[[4-(4-ethanoylpiperazin-1-yl)phenoxy]methyl]-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1-(pyridin-3-ylmethyl)indole-2-carboxylic acid
FormulaC46 H46 N6 O5
Molecular Weight762.895
TypeNON-POLYMER
Isomeric SMILESCc1c(c(nn1C)COc2ccc(cc2)N3CCN(CC3)C(=O)C)c4cccc5c4n(c(c5CCCOc6cccc7c6cccc7)C(=O)O)Cc8cccnc8
InChIInChI=1S/C46H46N6O5/c1-31-43(41(48-49(31)3)30-57-36-20-18-35(19-21-36)51-25-23-50(24-26-51)32(2)53)40-15-7-14-38-39(16-9-27-56-42-17-6-12-34-11-4-5-13-37(34)42)45(46(54)55)52(44(38)40)29-33-10-8-22-47-28-33/h4-8,10-15,17-22,28H,9,16,23-27,29-30H2,1-3H3,(H,54,55)
InChIKeyVKKQBUSCPZGZBT-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count103
Chiral Atom Count0
Bond Count110
Aromatic Bond Count38

Related Resource References

Resource NameReference
Pharos CHEMBL3417706
PubChem 68938909
ChEMBL CHEMBL3417706