ID: ALA2362259

Max Phase: Preclinical

Molecular Formula: C14H29N3S

Molecular Weight: 271.47

Molecule Type: Small molecule

Representations

Canonical SMILES:  CC.CCCCCCC1CCC/C1=N\NC(N)=S

Standard InChI:  InChI=1S/C12H23N3S.C2H6/c1-2-3-4-5-7-10-8-6-9-11(10)14-15-12(13)16;1-2/h10H,2-9H2,1H3,(H3,13,15,16);1-2H3/b14-11+;

Standard InChI Key:  LLTQKWVJATZBSY-JHGYPSGKSA-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: 271.47

Molecular Weight (Monoisotopic): 271.2082

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, 

Source

Source(1):

• PubChem BioAssays