ID: ALA3913375

Max Phase: Preclinical

Molecular Formula: C6H11KO2

Molecular Weight: 154.25

Molecule Type: Small molecule

Representations

Canonical SMILES:  CCCCCC(=O)[O-].[K+]

Standard InChI:  InChI=1S/C6H12O2.K/c1-2-3-4-5-6(7)8;/h2-5H2,1H3,(H,7,8);/q;+1/p-1

Standard InChI Key:  BLGUIMKBRCQORR-UHFFFAOYSA-M

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: 154.25

Molecular Weight (Monoisotopic): 154.0396

AlogP:

#Rotatable Bonds:

Polar Surface Area:

Molecular Species:

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

CX LogD:

Aromatic Rings:

Heavy Atoms:

QED Weighted:

Np Likeness Score:

References

1.  (2001)  Identification of modulators of GPR41 or GPR42 activity, 

Source

Source(1):

• Patent Bioactivity Data