ID: ALA5201732

Max Phase: Preclinical

Molecular Formula: C28H32N4O4Si

Molecular Weight: 516.67

Representations

Canonical SMILES:  CC(C)(C)[Si](C)(C)Oc1ccc(C2N(Nc3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]3Cc4ccccc4N23)cc1

Standard InChI:  InChI=1S/C28H32N4O4Si/c1-28(2,3)37(4,5)36-23-16-10-19(11-17-23)26-30-24-9-7-6-8-20(24)18-25(30)27(33)31(26)29-21-12-14-22(15-13-21)32(34)35/h6-17,25-26,29H,18H2,1-5H3/t25-,26?/m0/s1

Standard InChI Key:  ZDPOOVOOOPKULV-PMCHYTPCSA-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: 516.67

Molecular Weight (Monoisotopic): 516.2193

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. De S, Aamna B, Sahu R, Parida S, Behera SK, Dan AK..  (2022)  Seeking heterocyclic scaffolds as antivirals against dengue virus.,  240  [PMID:35816877] [10.1016/j.ejmech.2022.114576]

Source

Source(1):

• Scientific Literature