N-hydroxy-3-(4-(4-(4-methoxyphenyl)-1-methyl-1H-imidazol-5-yl)phenyl)acrylamide

ID: ALA5274875

Chembl Id: CHEMBL5274875

Max Phase: Preclinical

Molecular Formula: C20H19N3O3

Molecular Weight: 349.39

Names and Identifiers

Canonical SMILES:  COc1ccc(-c2ncn(C)c2-c2ccc(/C=C/C(=O)NO)cc2)cc1

Standard InChI:  InChI=1S/C20H19N3O3/c1-23-13-21-19(15-8-10-17(26-2)11-9-15)20(23)16-6-3-14(4-7-16)5-12-18(24)22-25/h3-13,25H,1-2H3,(H,22,24)/b12-5+

Standard InChI Key:  XJLOAKMOTBZJJR-LFYBBSHMSA-N

Alternative Forms

1. Parent:

   

   ALA5274875

   ---

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: 349.39

Molecular Weight (Monoisotopic): 349.1426

AlogP: 3.28

#Rotatable Bonds: 5

Polar Surface Area: 76.38

Molecular Species: NEUTRAL

HBA: 5

HBD: 2

#RO5 Violations: ┄

HBA (Lipinski): 6

HBD (Lipinski): 2

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: 9.56

CX Basic pKa: 5.26

CX LogP: 2.87

CX LogD: 2.87

Aromatic Rings: 3

Heavy Atoms: 26

QED Weighted: 0.42

Np Likeness Score: -0.39

References

1. Liu W, Liang Y, Si X..  (2020)  Hydroxamic acid hybrids as the potential anticancer agents: An Overview.,  205  [PMID:32791404] [10.1016/j.ejmech.2020.112679]

Source

Source(1):

• Scientific Literature