ID: ALA2297573

Max Phase: Preclinical

Molecular Formula: C26H20N2O2

Molecular Weight: 392.46

Molecule Type: Small molecule

Representations

Canonical SMILES:  O=C(NC(c1c(O)ccc2ccccc12)c1c[nH]c2ccccc12)c1ccccc1

Standard InChI:  InChI=1S/C26H20N2O2/c29-23-15-14-17-8-4-5-11-19(17)24(23)25(28-26(30)18-9-2-1-3-10-18)21-16-27-22-13-7-6-12-20(21)22/h1-16,25,27,29H,(H,28,30)

Standard InChI Key:  AYHGOZKUDSKNTN-UHFFFAOYSA-N

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

Properties

Molecular Weight: 392.46

Molecular Weight (Monoisotopic): 392.1525

AlogP: 5.55

#Rotatable Bonds: 4

Polar Surface Area: 65.12

Molecular Species: NEUTRAL

HBA: 2

HBD: 3

#RO5 Violations: 1

HBA (Lipinski): 4

HBD (Lipinski): 3

#RO5 Violations (Lipinski): 1

CX Acidic pKa: 8.92

CX Basic pKa:

CX LogP: 5.34

CX LogD: 5.33

Aromatic Rings: 5

Heavy Atoms: 30

QED Weighted: 0.38

Np Likeness Score: -0.35

References

1. Abou-Elmagd WSI, Hashem AI.  (2013)  Synthesis of 1-amidoalkyl-2-naphthols and oxazine derivatives with study of their antibacterial and antiviral activities,  22  (4): [10.1007/s00044-012-0205-9]

Source

Source(1):

• Scientific Literature