ID: ALA441534

Max Phase: Preclinical

Molecular Formula: C13H24N2O3Si

Molecular Weight: 284.43

Molecule Type: Small molecule

Representations

Canonical SMILES:  CC(C)(C)[Si](C)(C)OCCCn1ccc(=O)[nH]c1=O

Standard InChI:  InChI=1S/C13H24N2O3Si/c1-13(2,3)19(4,5)18-10-6-8-15-9-7-11(16)14-12(15)17/h7,9H,6,8,10H2,1-5H3,(H,14,16,17)

Standard InChI Key:  AOAWJHZAZDREJJ-UHFFFAOYSA-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: 284.43

Molecular Weight (Monoisotopic): 284.1556

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. Nguyen C, Ruda GF, Schipani A, Kasinathan G, Leal I, Musso-Buendia A, Kaiser M, Brun R, Ruiz-Pérez LM, Sahlberg BL, Johansson NG, Gonzalez-Pacanowska D, Gilbert IH..  (2006)  Acyclic nucleoside analogues as inhibitors of Plasmodium falciparum dUTPase.,  49  (14): [PMID:16821778] [10.1021/jm060126s]

Source

Source(1):

• Scientific Literature