Sorazolon A

ID: ALA3797814

Chembl Id: CHEMBL3797814

PubChem CID: 127048006

Max Phase: Preclinical

Molecular Formula: C14H15NO3

Molecular Weight: 245.28

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  C[C@@]1(O)C(=O)Cc2c([nH]c3ccccc23)[C@@]1(C)O

Standard InChI:  InChI=1S/C14H15NO3/c1-13(17)11(16)7-9-8-5-3-4-6-10(8)15-12(9)14(13,2)18/h3-6,15,17-18H,7H2,1-2H3/t13-,14-/m1/s1

Standard InChI Key:  QNROCWRARIAVDA-ZIAGYGMSSA-N

Alternative Forms

1. Parent:

   

   ALA3797814

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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: 245.28

Molecular Weight (Monoisotopic): 245.1052

AlogP: 1.25

#Rotatable Bonds: 0

Polar Surface Area: 73.32

Molecular Species: NEUTRAL

HBA: 3

HBD: 3

#RO5 Violations: 0

HBA (Lipinski): 4

HBD (Lipinski): 3

#RO5 Violations (Lipinski): 0

CX Acidic pKa: 11.99

CX Basic pKa:

CX LogP: 1.19

CX LogD: 1.19

Aromatic Rings: 2

Heavy Atoms: 18

QED Weighted: 0.65

Np Likeness Score: 0.80

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