ID: ALA3188068

Max Phase: Preclinical

Molecular Formula: C5H9KO2

Molecular Weight: 140.22

Molecule Type: Small molecule

Representations

Canonical SMILES:  CCCCC(=O)[O-].[K+]

Standard InChI:  InChI=1S/C5H10O2.K/c1-2-3-4-5(6)7;/h2-4H2,1H3,(H,6,7);/q;+1/p-1

Standard InChI Key:  OPCDHYPGIGFJGH-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: 140.22

Molecular Weight (Monoisotopic): 140.0240

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. PubChem BioAssay data set, 

2.  (2001)  Identification of modulators of GPR41 or GPR42 activity, 

Source

Source(2):

• PubChem BioAssays
• Patent Bioactivity Data