N,N'-(diselanediylbis(propane-3,1-diyl))bis(2-((3-(trifluoromethyl)phenyl)amino)benzamide)

ID: ALA5290563

Max Phase: Preclinical

Molecular Formula: C34H32F6N4O2Se2

Molecular Weight: 800.56

Names and Identifiers

Canonical SMILES:  O=C(NCCC[Se][Se]CCCNC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1)c1ccccc1Nc1cccc(C(F)(F)F)c1

Standard InChI:  InChI=1S/C34H32F6N4O2Se2/c35-33(36,37)23-9-5-11-25(21-23)43-29-15-3-1-13-27(29)31(45)41-17-7-19-47-48-20-8-18-42-32(46)28-14-2-4-16-30(28)44-26-12-6-10-24(22-26)34(38,39)40/h1-6,9-16,21-22,43-44H,7-8,17-20H2,(H,41,45)(H,42,46)

Standard InChI Key:  IEVQLBUYGGIRBZ-UHFFFAOYSA-N

Molfile:  

 
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M  END

Alternative Forms

1. Parent:

   

   ALA5290563

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 800.56

Molecular Weight (Monoisotopic): 802.0760

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. Chuai H, Zhang SQ, Bai H, Li J, Wang Y, Sun J, Wen E, Zhang J, Xin M..  (2021)  Small molecule selenium-containing compounds: Recent development and therapeutic applications.,  223  [PMID:34217061] [10.1016/j.ejmech.2021.113621]

Source

Source(1):

• Scientific Literature