bis(4-(4-chlorophenyl)-1-(4-(4-fluorophenyl)-4-oxobutyl)piperidin-4-yl)3,3'-(1,1'-(3,6,9,12-tetraoxatetradecane-1,14-diyl)bis(1H-1,2,3-triazole-4,1-diyl))dipropanoate

ID: ALA3318851

Chembl Id: CHEMBL3318851

PubChem CID: 118709179

Max Phase: Preclinical

Molecular Formula: C62H74Cl2F2N8O10

Molecular Weight: 1200.22

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  O=C(CCc1cn(CCOCCOCCOCCOCCn2cc(CCC(=O)OC3(c4ccc(Cl)cc4)CCN(CCCC(=O)c4ccc(F)cc4)CC3)nn2)nn1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1

Standard InChI:  InChI=1S/C62H74Cl2F2N8O10/c63-51-13-9-49(10-14-51)61(25-31-71(32-26-61)29-1-3-57(75)47-5-17-53(65)18-6-47)83-59(77)23-21-55-45-73(69-67-55)35-37-79-39-41-81-43-44-82-42-40-80-38-36-74-46-56(68-70-74)22-24-60(78)84-62(50-11-15-52(64)16-12-50)27-33-72(34-28-62)30-2-4-58(76)48-7-19-54(66)20-8-48/h5-20,45-46H,1-4,21-44H2

Standard InChI Key:  VCSXUTPJFQYQHZ-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA3318851

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1200.22

Molecular Weight (Monoisotopic): 1198.4873

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References

1. Salama I, Löber S, Hübner H, Gmeiner P..  (2014)  Synthesis and binding profile of haloperidol-based bivalent ligands targeting dopamine D(2)-like receptors.,  24  (16): [PMID:25047579] [10.1016/j.bmcl.2014.06.079]

Source

Source(1):

• Scientific Literature