5-(1-(5-(4-(6-(4-((((3'-chloro-4',5-difluoro-[1,1'-biphenyl]-2-yl)carbamoyl)oxy)methyl)piperidin-1-yl)hexyl)-1H-1,2,3-triazol-1-yl)pentyl)-1H-1,2,3-triazol-4-yl)-2-(6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl)benzoate

ID: ALA5285607

Chembl Id: CHEMBL5285607

Max Phase: Preclinical

Molecular Formula: C58H63ClF2N10O5

Molecular Weight: 1053.66

Names and Identifiers

Canonical SMILES:  CN(C)c1ccc2c(-c3ccc(-c4cn(CCCCCn5cc(CCCCCCN6CCC(COC(=O)Nc7ccc(F)cc7-c7ccc(F)c(Cl)c7)CC6)nn5)nn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1

Standard InChI:  InChI=1S/C58H63ClF2N10O5/c1-67(2)43-16-19-46-54(33-43)76-55-34-44(68(3)4)17-20-47(55)56(46)45-18-13-40(30-49(45)57(72)73)53-36-71(66-64-53)27-11-7-10-26-70-35-42(63-65-70)12-8-5-6-9-25-69-28-23-38(24-29-69)37-75-58(74)62-52-22-15-41(60)32-48(52)39-14-21-51(61)50(59)31-39/h13-22,30-36,38H,5-12,23-29,37H2,1-4H3,(H-,62,72,73,74)

Standard InChI Key:  IPPGGAXXAKWHHQ-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5285607

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1053.66

Molecular Weight (Monoisotopic): 1052.4639

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References

1. Köckenberger J, Fischer O, Konopa A, Bergwinkl S, Mühlich S, Gmeiner P, Kutta RJ, Hübner H, Keller M, Heinrich MR..  (2022)  Synthesis, Characterization, and Application of Muscarinergic M₃ Receptor Ligands Linked to Fluorescent Dyes.,  65  (24.0): [PMID:36484801] [10.1021/acs.jmedchem.2c01376]

Source

Source(1):

• Scientific Literature