ID: ALA2094074

Max Phase: Preclinical

Molecular Formula: C15H17N3O5Se

Molecular Weight: 398.28

Molecule Type: Small molecule

Representations

Canonical SMILES:  Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1[Se]c1ccccc1

Standard InChI:  InChI=1S/C15H17N3O5Se/c16-13-10(24-8-4-2-1-3-5-8)6-18(15(22)17-13)14-12(21)11(20)9(7-19)23-14/h1-6,9,11-12,14,19-21H,7H2,(H2,16,17,22)/t9-,11-,12+,14-/m1/s1

Standard InChI Key:  KWKRZPJNGXXGAX-SGESHTKJSA-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: 398.28

Molecular Weight (Monoisotopic): 399.0333

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. Schinazi RF, Arbiser J, Lee JJ, Kalman TI, Prusoff WH..  (1986)  Synthesis and biological activity of 5-phenylselenenyl-substituted pyrimidine nucleosides.,  29  (7): [PMID:3027329] [10.1021/jm00157a031]

Source

Source(1):

• Scientific Literature