ID: ALA4461585

Max Phase: Preclinical

Molecular Formula: C11H9ClN2O2S

Molecular Weight: 268.73

Molecule Type: Unknown

Representations

Canonical SMILES:  Cc1csc(NC(=O)c2cc(Cl)ccc2O)n1

Standard InChI:  InChI=1S/C11H9ClN2O2S/c1-6-5-17-11(13-6)14-10(16)8-4-7(12)2-3-9(8)15/h2-5,15H,1H3,(H,13,14,16)

Standard InChI Key:  WGMMEABTNWQUTO-UHFFFAOYSA-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: 268.73

Molecular Weight (Monoisotopic): 268.0073

AlogP: 3.06

#Rotatable Bonds: 2

Polar Surface Area: 62.22

Molecular Species: NEUTRAL

HBA: 4

HBD: 2

#RO5 Violations: 0

HBA (Lipinski): 4

HBD (Lipinski): 2

#RO5 Violations (Lipinski): 0

CX Acidic pKa: 7.37

CX Basic pKa:

CX LogP: 2.84

CX LogD: 2.53

Aromatic Rings: 2

Heavy Atoms: 17

QED Weighted: 0.88

Np Likeness Score: -2.33

References

1.  (2013)  2-hydroxyarylamide derivative or pharmaceutically acceptable salt thereof, preparation method thereof, and pharmaceutical composition for preventing or treating cancer containing same as active ingredient, 

2.  (2014)  2-hydroxyarylamide derivative or pharmaceutically acceptable salt thereof, preparation method thereof, and pharmaceutical composition for preventing or treating cancer containing same as active ingredient, 

Source

Source(1):

• Patent Bioactivity Data