2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)benzamide

ID: ALA4071182

PubChem CID: 137640247

Max Phase: Preclinical

Molecular Formula: C25H24BF3N2O4

Molecular Weight: 484.28

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CC1(C)OB(c2ccccc2C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)OC1(C)C

Standard InChI:  InChI=1S/C25H24BF3N2O4/c1-23(2)24(3,4)35-26(34-23)20-8-6-5-7-19(20)22(32)31-17-10-12-18(13-11-17)33-21-14-9-16(15-30-21)25(27,28)29/h5-15H,1-4H3,(H,31,32)

Standard InChI Key:  TYCXAJQKXSMEHZ-UHFFFAOYSA-N

Molfile:  

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M  END

Alternative Forms

1. Parent:

   

   ALA4071182

   ---

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: 484.28

Molecular Weight (Monoisotopic): 484.1781

AlogP: ┄

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HBA: ┄

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HBD (Lipinski): ┄

#RO5 Violations (Lipinski): ┄

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QED Weighted: ┄

Np Likeness Score: ┄

References

1. Ogiyama T, Yamaguchi M, Kurikawa N, Honzumi S, Yamamoto Y, Sugiyama D, Takakusa H, Inoue SI..  (2017)  Identification of a novel hormone sensitive lipase inhibitor with a reduced potential of reactive metabolites formation.,  25  (7): [PMID:28279560] [10.1016/j.bmc.2017.02.045]

Source

Source(1):

• Scientific Literature