ID: ALA2448326

Max Phase: Preclinical

Molecular Formula: C12H22ClNSi

Molecular Weight: 207.39

Molecule Type: Small molecule

Representations

Canonical SMILES:  C[Si](C)(CCN)CCc1ccccc1.Cl

Standard InChI:  InChI=1S/C12H21NSi.ClH/c1-14(2,11-9-13)10-8-12-6-4-3-5-7-12;/h3-7H,8-11,13H2,1-2H3;1H

Standard InChI Key:  NEIUMSFXKKGGJN-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: 207.39

Molecular Weight (Monoisotopic): 207.1443

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. Danzin C, Collard J, Marchal P, Schirlin D.  (1995)  Silicon-mediated inactivation of semicarbazide-sensitive amine oxidase,  5  (20): [10.1016/0960-894X(95)00410-U]

Source

Source(1):

• Scientific Literature