Sorazolon E

ID: ALA3798321

Chembl Id: CHEMBL3798321

PubChem CID: 14312545

Max Phase: Preclinical

Molecular Formula: C14H13NO

Molecular Weight: 211.26

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  Cc1c(O)cc2c([nH]c3ccccc32)c1C

Standard InChI:  InChI=1S/C14H13NO/c1-8-9(2)14-11(7-13(8)16)10-5-3-4-6-12(10)15-14/h3-7,15-16H,1-2H3

Standard InChI Key:  OQPPGARCOVUTEP-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA3798321

   Sorazolon E

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: 211.26

Molecular Weight (Monoisotopic): 211.0997

AlogP: 3.64

#Rotatable Bonds: 0

Polar Surface Area: 36.02

Molecular Species: NEUTRAL

HBA: 1

HBD: 2

#RO5 Violations: 0

HBA (Lipinski): 2

HBD (Lipinski): 2

#RO5 Violations (Lipinski): 0

CX Acidic pKa: 9.64

CX Basic pKa:

CX LogP: 3.81

CX LogD: 3.81

Aromatic Rings: 3

Heavy Atoms: 16

QED Weighted: 0.58

Np Likeness Score: 0.70

References

1. Karwehl S, Jansen R, Huch V, Stadler M..  (2016)  Sorazolons, Carbazole Alkaloids from Sorangium cellulosum Strain Soce375.,  79  (2): [PMID:26866461] [10.1021/acs.jnatprod.5b00997]

Source

Source(1):

• Scientific Literature