N-(4-(4-hydrazinyl-4-oxobutanamido)phenyl)-5-methylfuran-2-carboxamide

ID: ALA5274874

Chembl Id: CHEMBL5274874

Max Phase: Preclinical

Molecular Formula: C16H18N4O4

Molecular Weight: 330.34

Names and Identifiers

Canonical SMILES:  Cc1ccc(C(=O)Nc2ccc(NC(=O)CCC(=O)NN)cc2)o1

Standard InChI:  InChI=1S/C16H18N4O4/c1-10-2-7-13(24-10)16(23)19-12-5-3-11(4-6-12)18-14(21)8-9-15(22)20-17/h2-7H,8-9,17H2,1H3,(H,18,21)(H,19,23)(H,20,22)

Standard InChI Key:  JYZCPHQLWWPQDG-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5274874

   ---

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: 330.34

Molecular Weight (Monoisotopic): 330.1328

AlogP: 1.55

#Rotatable Bonds: 6

Polar Surface Area: 126.46

Molecular Species: NEUTRAL

HBA: 5

HBD: 4

#RO5 Violations: ┄

HBA (Lipinski): 8

HBD (Lipinski): 5

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: 12.40

CX Basic pKa: 2.97

CX LogP: 0.28

CX LogD: 0.28

Aromatic Rings: 2

Heavy Atoms: 24

QED Weighted: 0.36

Np Likeness Score: -1.62

References

1. Dighe SN, Collet TA..  (2020)  Recent advances in DNA gyrase-targeted antimicrobial agents.,  199  [PMID:32460040] [10.1016/j.ejmech.2020.112326]

Source

Source(1):

• Scientific Literature