ID: ALA2263365

Max Phase: Preclinical

Molecular Formula: C17H24N3OPSe

Molecular Weight: 396.33

Molecule Type: Unknown

Representations

Canonical SMILES:  CCC(CO)NCP1(=[Se])CNc2cccc3cccc(c23)NC1

Standard InChI:  InChI=1S/C17H24N3OPSe/c1-2-14(9-21)18-10-22(23)11-19-15-7-3-5-13-6-4-8-16(17(13)15)20-12-22/h3-8,14,18-21H,2,9-12H2,1H3

Standard InChI Key:  DLGAFBNDASCZRX-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: 396.33

Molecular Weight (Monoisotopic): 397.0822

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