Sorazolon D

ID: ALA3797918

Chembl Id: CHEMBL3797918

PubChem CID: 127046037

Max Phase: Preclinical

Molecular Formula: C14H13NO4

Molecular Weight: 259.26

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  C[C@@]1(O)C(=O)C(=O)c2c([nH]c3ccccc23)[C@@]1(C)O

Standard InChI:  InChI=1S/C14H13NO4/c1-13(18)11-9(10(16)12(17)14(13,2)19)7-5-3-4-6-8(7)15-11/h3-6,15,18-19H,1-2H3/t13-,14-/m1/s1

Standard InChI Key:  WNTCGGSSMULYPM-ZIAGYGMSSA-N

Alternative Forms

1. Parent:

   

   ALA3797918

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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: 259.26

Molecular Weight (Monoisotopic): 259.0845

AlogP: 0.89

#Rotatable Bonds: 0

Polar Surface Area: 90.39

Molecular Species: NEUTRAL

HBA: 4

HBD: 3

#RO5 Violations: 0

HBA (Lipinski): 5

HBD (Lipinski): 3

#RO5 Violations (Lipinski): 0

CX Acidic pKa: 11.18

CX Basic pKa:

CX LogP: 1.07

CX LogD: 1.07

Aromatic Rings: 2

Heavy Atoms: 19

QED Weighted: 0.61

Np Likeness Score: 0.88

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