ID: ALA5276912

Max Phase: Preclinical

Molecular Formula: C18H22N6SSi

Molecular Weight: 382.57

Representations

Canonical SMILES:  CCCc1nc2c(N)nc3ccc(-n4cc([Si](C)(C)C)nn4)cc3c2s1

Standard InChI:  InChI=1S/C18H22N6SSi/c1-5-6-14-21-16-17(25-14)12-9-11(7-8-13(12)20-18(16)19)24-10-15(22-23-24)26(2,3)4/h7-10H,5-6H2,1-4H3,(H2,19,20)

Standard InChI Key:  IVXADAQUQILHTD-UHFFFAOYSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 382.57

Molecular Weight (Monoisotopic): 382.1396

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. Kaushik D, Kaur A, Petrovsky N, Salunke DB..  (2021)  Structural evolution of toll-like receptor 7/8 agonists from imidazoquinolines to imidazoles.,  12  (7.0): [PMID:34355178] [10.1039/D1MD00031D]

Source

Source(1):

• Scientific Literature