ID: ALA2263366

Max Phase: Preclinical

Molecular Formula: C21H24N3PSe

Molecular Weight: 428.38

Molecule Type: Unknown

Representations

Canonical SMILES:  CC(NCP1(=[Se])CNc2cccc3cccc(c23)NC1)c1ccccc1

Standard InChI:  InChI=1S/C21H24N3PSe/c1-16(17-7-3-2-4-8-17)22-13-25(26)14-23-19-11-5-9-18-10-6-12-20(21(18)19)24-15-25/h2-12,16,22-24H,13-15H2,1H3

Standard InChI Key:  JQWFBNHNUJOADR-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: 428.38

Molecular Weight (Monoisotopic): 429.0873

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