Bis{4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl}3,3'-[decane-1,10-diylbis(1H-1,2,3-triazole-1,4-diyl)]dipropanoate

ID: ALA3318850

Chembl Id: CHEMBL3318850

PubChem CID: 118709177

Max Phase: Preclinical

Molecular Formula: C62H74Cl2F2N8O6

Molecular Weight: 1136.23

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  O=C(CCc1cn(CCCCCCCCCCn2cc(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/C62H74Cl2F2N8O6/c63-51-21-17-49(18-22-51)61(33-41-71(42-34-61)37-9-11-57(75)47-13-25-53(65)26-14-47)79-59(77)31-29-55-45-73(69-67-55)39-7-5-3-1-2-4-6-8-40-74-46-56(68-70-74)30-32-60(78)80-62(50-19-23-52(64)24-20-50)35-43-72(44-36-62)38-10-12-58(76)48-15-27-54(66)28-16-48/h13-28,45-46H,1-12,29-44H2

Standard InChI Key:  ZJQBHEYWXVCZGD-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA3318850

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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: 1136.23

Molecular Weight (Monoisotopic): 1134.5076

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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