Selenochroman-4-one

ID: ALA4475160

Chembl Id: CHEMBL4475160

Cas Number: 4671-90-3

PubChem CID: 603586

Max Phase: Preclinical

Molecular Formula: C9H8OSe

Molecular Weight: 211.12

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  O=C1CC[Se]c2ccccc21

Standard InChI:  InChI=1S/C9H8OSe/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4H,5-6H2

Standard InChI Key:  MIDISGRCIYPSGD-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4475160

   Selenochroman-4-one

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: 211.12

Molecular Weight (Monoisotopic): 211.9740

AlogP:

#Rotatable Bonds:

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Molecular Species:

HBA:

HBD:

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HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

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Aromatic Rings:

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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