ID: ALA3288107

Max Phase: Preclinical

Molecular Formula: C28H38N2O6Si

Molecular Weight: 526.71

Molecule Type: Small molecule

Representations

Canonical SMILES:  C[Si](C)(C)CCOCn1c(CC(O)(COCc2ccccc2)COCc2ccccc2)cc(=O)[nH]c1=O

Standard InChI:  InChI=1S/C28H38N2O6Si/c1-37(2,3)15-14-34-22-30-25(16-26(31)29-27(30)32)17-28(33,20-35-18-23-10-6-4-7-11-23)21-36-19-24-12-8-5-9-13-24/h4-13,16,33H,14-15,17-22H2,1-3H3,(H,29,31,32)

Standard InChI Key:  QQWBVZMCUOCJDW-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: 526.71

Molecular Weight (Monoisotopic): 526.2499

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:

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