SID496000

ID: ALA4299159

Chembl Id: CHEMBL4299159

PubChem CID: 145946394

Max Phase: Preclinical

Molecular Formula: C21H23ClO6Si

Molecular Weight: 398.49

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  Cl.O=c1cccccc1O.O=c1cccccc1O.O=c1cccccc1O.[SiH4]

Standard InChI:  InChI=1S/3C7H6O2.ClH.H4Si/c3*8-6-4-2-1-3-5-7(6)9;;/h3*1-5H,(H,8,9);1H;1H4

Standard InChI Key:  UDXBZMKXSQLJAL-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

Calculated Properties

Molecular Weight: 398.49

Molecular Weight (Monoisotopic): 398.1186

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