6-methylselenochroman-4-one

ID: ALA4531219

Chembl Id: CHEMBL4531219

PubChem CID: 134867586

Max Phase: Preclinical

Molecular Formula: C10H10OSe

Molecular Weight: 225.15

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  Cc1ccc2c(c1)C(=O)CC[Se]2

Standard InChI:  InChI=1S/C10H10OSe/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6H,4-5H2,1H3

Standard InChI Key:  SQVJSVZDOHOYHP-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4531219

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 225.15

Molecular Weight (Monoisotopic): 225.9897

AlogP:

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HBA:

HBD:

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HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

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Np Likeness Score:

References

1. Xu H, Su X, Liu XQ, Zhang KP, Hou Z, Guo C..  (2019)  Design, synthesis and biological evaluation of novel semicarbazone-selenochroman-4-ones hybrids as potent antifungal agents.,  29  (23): [PMID:31615700] [10.1016/j.bmcl.2019.126726]

Source

Source(1):

• Scientific Literature