ID: ALA4466721

Max Phase: Preclinical

Molecular Formula: C26H20F2N4

Molecular Weight: 426.47

Molecule Type: Unknown

Representations

Canonical SMILES:  Fc1ccccc1N/N=C/c1ccc(-c2ccc(/C=N/Nc3ccccc3F)cc2)cc1

Standard InChI:  InChI=1S/C26H20F2N4/c27-23-5-1-3-7-25(23)31-29-17-19-9-13-21(14-10-19)22-15-11-20(12-16-22)18-30-32-26-8-4-2-6-24(26)28/h1-18,31-32H/b29-17+,30-18+

Standard InChI Key:  RRKCLLFZROAJHM-YAGSLNJISA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 426.47

Molecular Weight (Monoisotopic): 426.1656

AlogP: 6.52

#Rotatable Bonds: 7

Polar Surface Area: 48.78

Molecular Species: NEUTRAL

HBA: 4

HBD: 2

#RO5 Violations: 1

HBA (Lipinski): 4

HBD (Lipinski): 2

#RO5 Violations (Lipinski): 1

CX Acidic pKa:

CX Basic pKa: 5.22

CX LogP: 7.56

CX LogD: 7.56

Aromatic Rings: 4

Heavy Atoms: 32

QED Weighted: 0.26

Np Likeness Score: -0.97

References

1. Thamban Chandrika N, Dennis EK, Shrestha SK, Ngo HX, Green KD, Kwiatkowski S, Deaciuc AG, Dwoskin LP, Watt DS, Garneau-Tsodikova S..  (2019)  N,N'-diaryl-bishydrazones in a biphenyl platform: Broad spectrum antifungal agents.,  164  [PMID:30597328] [10.1016/j.ejmech.2018.12.042]

Source

Source(1):

• Scientific Literature