ID: ALA195997

Max Phase: Preclinical

Molecular Formula: C15H25FN2O4Si

Molecular Weight: 344.46

Molecule Type: Small molecule

Representations

Canonical SMILES:  CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)CC1F

Standard InChI:  InChI=1S/C15H25FN2O4Si/c1-15(2,3)23(4,5)21-9-11-10(16)8-13(22-11)18-7-6-12(19)17-14(18)20/h6-7,10-11,13H,8-9H2,1-5H3,(H,17,19,20)

Standard InChI Key:  UCKHKSBXKBGHKE-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: 344.46

Molecular Weight (Monoisotopic): 344.1568

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. Nguyen C, Kasinathan G, Leal-Cortijo I, Musso-Buendia A, Kaiser M, Brun R, Ruiz-Pérez LM, Johansson NG, González-Pacanowska D, Gilbert IH..  (2005)  Deoxyuridine triphosphate nucleotidohydrolase as a potential antiparasitic drug target.,  48  (19): [PMID:16161998] [10.1021/jm050111e]

Source

Source(1):

• Scientific Literature