ID: ALA3288109

Max Phase: Preclinical

Molecular Formula: C14H26N2O6Si

Molecular Weight: 346.46

Molecule Type: Small molecule

Representations

Canonical SMILES:  C[Si](C)(C)CCOCn1c(CC(O)(CO)CO)cc(=O)[nH]c1=O

Standard InChI:  InChI=1S/C14H26N2O6Si/c1-23(2,3)5-4-22-10-16-11(6-12(19)15-13(16)20)7-14(21,8-17)9-18/h6,17-18,21H,4-5,7-10H2,1-3H3,(H,15,19,20)

Standard InChI Key:  PCBJVUISLDXOSG-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: 346.46

Molecular Weight (Monoisotopic): 346.1560

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. Gazivoda Kraljević T, Ilić N, Stepanić V, Sappe L, Petranović J, Kraljević Pavelić S, Raić-Malić S..  (2014)  Synthesis and in vitro antiproliferative evaluation of novel N-alkylated 6-isobutyl- and propyl pyrimidine derivatives.,  24  (13): [PMID:24835982] [10.1016/j.bmcl.2014.04.079]

Source

Source(1):

• Scientific Literature