ID: ALA4299066

Max Phase: Preclinical

Molecular Formula: C16H27Cl3N4O4Si

Molecular Weight: 364.48

Molecule Type: Small molecule

Representations

Canonical SMILES:  CN(C)c1ccc(N=O)c(O)c1.CN(C)c1ccc(N=O)c(O)c1.Cl.Cl.Cl.[SiH4]

Standard InChI:  InChI=1S/2C8H10N2O2.3ClH.H4Si/c2*1-10(2)6-3-4-7(9-12)8(11)5-6;;;;/h2*3-5,11H,1-2H3;3*1H;1H4

Standard InChI Key:  GVOBZTGTAKQEJR-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: 364.48

Molecular Weight (Monoisotopic): 364.1567

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. PubChem BioAssay data set, 

Source

Source(1):

• PubChem BioAssays