ID: ALA2391400

Max Phase: Preclinical

Molecular Formula: C10H6Cl2N4O

Molecular Weight: 269.09

Molecule Type: Small molecule

Representations

Canonical SMILES:  Cc1cc(=O)n2nnc3cc(Cl)c(Cl)cc3n12

Standard InChI:  InChI=1S/C10H6Cl2N4O/c1-5-2-10(17)16-14-13-8-3-6(11)7(12)4-9(8)15(5)16/h2-4H,1H3

Standard InChI Key:  MUGMGHCCEYGGBD-UHFFFAOYSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 269.09

Molecular Weight (Monoisotopic): 267.9919

AlogP: 1.96

#Rotatable Bonds: 0

Polar Surface Area: 51.67

Molecular Species: NEUTRAL

HBA: 5

HBD: 0

#RO5 Violations: 0

HBA (Lipinski): 5

HBD (Lipinski): 0

#RO5 Violations (Lipinski): 0

CX Acidic pKa:

CX Basic pKa:

CX LogP: 3.79

CX LogD: 3.79

Aromatic Rings: 3

Heavy Atoms: 17

QED Weighted: 0.63

Np Likeness Score: -1.58

References

1. Mingoia F, Di Sano C, Di Blasi F, Fazzari M, Martorana A, Almerico AM, Lauria A..  (2013)  Exploring the anticancer potential of pyrazolo[1,2-a]benzo[1,2,3,4]tetrazin-3-one derivatives: the effect on apoptosis induction, cell cycle and proliferation.,  64  [PMID:23644217] [10.1016/j.ejmech.2013.03.046]

Source

Source(1):

• Scientific Literature