2-((9,10-dihydroacridin-9-yl)methylene)-3-(diphenylamino)thiazolidin-4-one

ID: ALA5286648

Max Phase: Preclinical

Molecular Formula: C29H23N3OS

Molecular Weight: 461.59

Names and Identifiers

Canonical SMILES:  O=C1CS/C(=C\C2c3ccccc3Nc3ccccc32)N1N(c1ccccc1)c1ccccc1

Standard InChI:  InChI=1S/C29H23N3OS/c33-28-20-34-29(32(28)31(21-11-3-1-4-12-21)22-13-5-2-6-14-22)19-25-23-15-7-9-17-26(23)30-27-18-10-8-16-24(25)27/h1-19,25,30H,20H2/b29-19-

Standard InChI Key:  NBFSHLCBLKEHCB-CEUNXORHSA-N

Molfile:  

 
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M  END

Alternative Forms

1. Parent:

   

   ALA5286648

   ---

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: 461.59

Molecular Weight (Monoisotopic): 461.1562

AlogP: 7.05

#Rotatable Bonds: 4

Polar Surface Area: 35.58

Molecular Species: NEUTRAL

HBA: 4

HBD: 1

#RO5 Violations: 1

HBA (Lipinski): 4

HBD (Lipinski): 1

#RO5 Violations (Lipinski): 1

CX Acidic pKa: ┄

CX Basic pKa: ┄

CX LogP: 6.34

CX LogD: 6.34

Aromatic Rings: 4

Heavy Atoms: 34

QED Weighted: 0.35

Np Likeness Score: -0.35

References

1. Bora D, Kaushal A, Shankaraiah N..  (2021)  Anticancer potential of spirocompounds in medicinal chemistry: A pentennial expedition.,  215  [PMID:33601313] [10.1016/j.ejmech.2021.113263]

Source

Source(1):

• Scientific Literature