SID581319

ID: ALA4299161

Chembl Id: CHEMBL4299161

PubChem CID: 145946396

Max Phase: Preclinical

Molecular Formula: C36H33ClN4O4Si

Molecular Weight: 612.76

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  Cl.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.[SiH4]

Standard InChI:  InChI=1S/4C9H7NO.ClH.H4Si/c4*11-8-5-1-3-7-4-2-6-10-9(7)8;;/h4*1-6,11H;1H;1H4

Standard InChI Key:  PEYXTAJJXALQDU-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: 612.76

Molecular Weight (Monoisotopic): 612.2193

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. PubChem BioAssay data set, 

Source

Source(1):

• PubChem BioAssays