ID: ALA1812640

Max Phase: Preclinical

Molecular Formula: C17H9N3OSe

Molecular Weight: 350.24

Molecule Type: Small molecule

Representations

Canonical SMILES:  O=c1c2[se]c3ccccc3c2nc2c3ncccc3ccn12

Standard InChI:  InChI=1S/C17H9N3OSe/c21-17-15-14(11-5-1-2-6-12(11)22-15)19-16-13-10(4-3-8-18-13)7-9-20(16)17/h1-9H

Standard InChI Key:  UZQMXACIVXPOEJ-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: 350.24

Molecular Weight (Monoisotopic): 350.9911

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. Arsenyan P, Paegle E, Belyakov S, Shestakova I, Jaschenko E, Domracheva I, Popelis J..  (2011)  Synthesis, structure and cytotoxicity of 3-C, N, S, Se substituted benzo[b]selenophene derivatives.,  46  (8): [PMID:21621884] [10.1016/j.ejmech.2011.05.008]

Source

Source(1):

• Scientific Literature