sorazinone A

ID: ALA3355652

Chembl Id: CHEMBL3355652

PubChem CID: 101889904

Max Phase: Preclinical

Molecular Formula: C11H8N2O2

Molecular Weight: 200.20

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  Cc1ccn2c(=O)c3cccn3c(=O)c12

Standard InChI:  InChI=1S/C11H8N2O2/c1-7-4-6-13-9(7)11(15)12-5-2-3-8(12)10(13)14/h2-6H,1H3

Standard InChI Key:  UMNZUDYDIKGADO-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA3355652

   Sorazinone A

Molecule Features

Natural Product: Yes

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

Calculated Properties

Molecular Weight: 200.20

Molecular Weight (Monoisotopic): 200.0586

AlogP: 0.66

#Rotatable Bonds: 0

Polar Surface Area: 42.96

Molecular Species: NEUTRAL

HBA: 4

HBD: 0

#RO5 Violations: 0

HBA (Lipinski): 4

HBD (Lipinski): 0

#RO5 Violations (Lipinski): 0

CX Acidic pKa:

CX Basic pKa:

CX LogP: 0.86

CX LogD: 0.86

Aromatic Rings: 3

Heavy Atoms: 15

QED Weighted: 0.53

Np Likeness Score: -0.75

References

1. Jansen R, Sood S, Mohr KI, Kunze B, Irschik H, Stadler M, Müller R..  (2014)  Nannozinones and sorazinones, unprecedented pyrazinones from myxobacteria.,  77  (11): [PMID:25397992] [10.1021/np500632c]

Source

Source(1):

• Scientific Literature