SID496063

ID: ALA4299158

Chembl Id: CHEMBL4299158

PubChem CID: 145946393

Max Phase: Preclinical

Molecular Formula: C45H42Cl2O6Si

Molecular Weight: 704.90

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  Cl.Cl.O=C(CC(=O)c1ccccc1)c1ccccc1.O=C(CC(=O)c1ccccc1)c1ccccc1.O=C(CC(=O)c1ccccc1)c1ccccc1.[SiH4]

Standard InChI:  InChI=1S/3C15H12O2.2ClH.H4Si/c3*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;;;/h3*1-10H,11H2;2*1H;1H4

Standard InChI Key:  LFBSMTVPVQZQSI-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: 704.90

Molecular Weight (Monoisotopic): 704.2594

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