2-amino-6-borono-2-[1-[(2,4-dichlorophenyl)methyl]-4-piperidyl]hexanoicacid

ID: ALA5276302

Chembl Id: CHEMBL5276302

Max Phase: Preclinical

Molecular Formula: C18H27BCl2N2O4

Molecular Weight: 417.14

Names and Identifiers

Canonical SMILES:  NC(CCCCB(O)O)(C(=O)O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1

Standard InChI:  InChI=1S/C18H27BCl2N2O4/c20-15-4-3-13(16(21)11-15)12-23-9-5-14(6-10-23)18(22,17(24)25)7-1-2-8-19(26)27/h3-4,11,14,26-27H,1-2,5-10,12,22H2,(H,24,25)

Standard InChI Key:  ISYBHIALKUAHGV-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5276302

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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: 417.14

Molecular Weight (Monoisotopic): 416.1441

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References

1. Zhang J, Zhang Y, Qu B, Yang H, Hu S, Dong X..  (2021)  If small molecules immunotherapy comes, can the prime be far behind?,  218  [PMID:33773287] [10.1016/j.ejmech.2021.113356]

Source

Source(1):

• Scientific Literature