Bis{4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl}3,3'-[octane-1,8-diylbis(1H-1,2,3-triazole-1,4-diyl)]dipropanoate

ID: ALA3318849

Chembl Id: CHEMBL3318849

PubChem CID: 118709176

Max Phase: Preclinical

Molecular Formula: C60H70Cl2F2N8O6

Molecular Weight: 1108.17

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  O=C(CCc1cn(CCCCCCCCn2cc(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/C60H70Cl2F2N8O6/c61-49-19-15-47(16-20-49)59(31-39-69(40-32-59)35-7-9-55(73)45-11-23-51(63)24-12-45)77-57(75)29-27-53-43-71(67-65-53)37-5-3-1-2-4-6-38-72-44-54(66-68-72)28-30-58(76)78-60(48-17-21-50(62)22-18-48)33-41-70(42-34-60)36-8-10-56(74)46-13-25-52(64)26-14-46/h11-26,43-44H,1-10,27-42H2

Standard InChI Key:  WUVVNDIQBGLCOQ-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA3318849

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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: 1108.17

Molecular Weight (Monoisotopic): 1106.4763

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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