ID: ALA2263364

Max Phase: Preclinical

Molecular Formula: C22H25N2OPSe

Molecular Weight: 443.39

Molecule Type: Unknown

Representations

Canonical SMILES:  CC(Cc1ccccc1)OCP1(=[Se])CNc2cccc3cccc(c23)NC1

Standard InChI:  InChI=1S/C22H25N2OPSe/c1-17(13-18-7-3-2-4-8-18)25-16-26(27)14-23-20-11-5-9-19-10-6-12-21(22(19)20)24-15-26/h2-12,17,23-24H,13-16H2,1H3

Standard InChI Key:  ZBOLGFXOWIUYSB-UHFFFAOYSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 443.39

Molecular Weight (Monoisotopic): 444.0870

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. Uma Ravi Sankar A, Subba Reddy S, Chandra Sekhar Reddy G, Veera Narayana Reddy M, Naga Raju C.  (2011)  Synthesis, spectral, and antimicrobial evaluation of some new 8-membered phosphorus heterocyclic compounds,  20  (7): [10.1007/s00044-010-9425-z]

Source

Source(1):

• Scientific Literature