[3-[(4-hydroxy-1,2,5-oxadiazol-3-yl)methyl]-5-methoxy-2-methyl-indol-1-yl]-phenyl-methanone

ID: ALA5290170

Chembl Id: CHEMBL5290170

Max Phase: Preclinical

Molecular Formula: C20H17N3O4

Molecular Weight: 363.37

Names and Identifiers

Canonical SMILES:  COc1ccc2c(c1)c(Cc1nonc1O)c(C)n2C(=O)c1ccccc1

Standard InChI:  InChI=1S/C20H17N3O4/c1-12-15(11-17-19(24)22-27-21-17)16-10-14(26-2)8-9-18(16)23(12)20(25)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,22,24)

Standard InChI Key:  DKXLGDJKCXEKTB-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5290170

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 363.37

Molecular Weight (Monoisotopic): 363.1219

AlogP: 3.33

#Rotatable Bonds: 4

Polar Surface Area: 90.38

Molecular Species: ACID

HBA: 7

HBD: 1

#RO5 Violations: ┄

HBA (Lipinski): 7

HBD (Lipinski): 1

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: 2.21

CX Basic pKa: ┄

CX LogP: 3.13

CX LogD: 1.22

Aromatic Rings: 4

Heavy Atoms: 27

QED Weighted: 0.60

Np Likeness Score: -0.80

References

1. Mancini RS, Barden CJ, Weaver DF, Reed MA..  (2021)  Furazans in Medicinal Chemistry.,  64  (4.0): [PMID:33569941] [10.1021/acs.jmedchem.0c01901]

Source

Source(1):

• Scientific Literature