ID: ALA3288119

Max Phase: Preclinical

Molecular Formula: C14H26N2O5Si

Molecular Weight: 330.46

Molecule Type: Small molecule

Representations

Canonical SMILES:  Cc1c(CC(O)CO)n(COCC[Si](C)(C)C)c(=O)[nH]c1=O

Standard InChI:  InChI=1S/C14H26N2O5Si/c1-10-12(7-11(18)8-17)16(14(20)15-13(10)19)9-21-5-6-22(2,3)4/h11,17-18H,5-9H2,1-4H3,(H,15,19,20)

Standard InChI Key:  UGXDSBXPTIADEZ-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: 330.46

Molecular Weight (Monoisotopic): 330.1611

AlogP:

#Rotatable Bonds:

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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:

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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