Sorazolon C

ID: ALA3797604

Chembl Id: CHEMBL3797604

PubChem CID: 127047666

Max Phase: Preclinical

Molecular Formula: C14H11NO

Molecular Weight: 209.25

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  Cc1ccc2c([nH]c3ccccc32)c1C=O

Standard InChI:  InChI=1S/C14H11NO/c1-9-6-7-11-10-4-2-3-5-13(10)15-14(11)12(9)8-16/h2-8,15H,1H3

Standard InChI Key:  DMFMAEDMPAOSTI-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA3797604

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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: 209.25

Molecular Weight (Monoisotopic): 209.0841

AlogP: 3.44

#Rotatable Bonds: 1

Polar Surface Area: 32.86

Molecular Species: NEUTRAL

HBA: 1

HBD: 1

#RO5 Violations: 0

HBA (Lipinski): 2

HBD (Lipinski): 1

#RO5 Violations (Lipinski): 0

CX Acidic pKa: 13.92

CX Basic pKa:

CX LogP: 3.32

CX LogD: 3.32

Aromatic Rings: 3

Heavy Atoms: 16

QED Weighted: 0.61

Np Likeness Score: 0.35

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