ID: ALA2397711

Max Phase: Preclinical

Molecular Formula: C15H11ClN2S

Molecular Weight: 286.79

Molecule Type: Small molecule

Representations

Canonical SMILES:  Cc1ccc2snc(/N=C\c3cccc(Cl)c3)c2c1

Standard InChI:  InChI=1S/C15H11ClN2S/c1-10-5-6-14-13(7-10)15(18-19-14)17-9-11-3-2-4-12(16)8-11/h2-9H,1H3/b17-9-

Standard InChI Key:  AQGFOYOTRIBVAL-MFOYZWKCSA-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: 286.79

Molecular Weight (Monoisotopic): 286.0331

AlogP: 5.01

#Rotatable Bonds: 2

Polar Surface Area: 25.25

Molecular Species: NEUTRAL

HBA: 3

HBD: 0

#RO5 Violations: 1

HBA (Lipinski): 2

HBD (Lipinski): 0

#RO5 Violations (Lipinski): 1

CX Acidic pKa:

CX Basic pKa:

CX LogP: 5.62

CX LogD: 5.62

Aromatic Rings: 3

Heavy Atoms: 19

QED Weighted: 0.61

Np Likeness Score: -1.83

References

1. Sztanke K, Maziarka A, Osinka A, Sztanke M..  (2013)  An insight into synthetic Schiff bases revealing antiproliferative activities in vitro.,  21  (13): [PMID:23673213] [10.1016/j.bmc.2013.04.037]

Source

Source(1):

• Scientific Literature