Molecular Identity
3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxynaphthalene-1,2-dione
3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxynaphthalene-1,2-dione
PubChem CID: 74989
Atovaquone is a naphthoquinone compound having a 4-(4-chlorophenyl)cyclohexyl group at the 2-position and a hydroxy substituent at the 3-position. It has a role as an antifungal agent, an antimalarial, an EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor, an EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor and an EC 1.10.2.2 (quinol--cytochrome-c reductase) inhibitor. It is a hydroxy-1,4-naphthoquinone and a member of monochlorobenzenes.
2D Structure
Properties
C22H19ClO3
Molecular Formula
366.80
Molecular Weight
g/mol
366.1023
Exact Mass
Da
5.2
XLogP
Above Lipinski threshold
54.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
595
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxynaphthalene-1,2-dioneDTXSID209166943-(4-(4-chlorophenyl)cyclohexyl)-4-hydroxynaphthalene-1,2-dioneRefChem:1066764DTXCID20888847630-425-2ATOVAQUONE95233-18-4MepronWellvonecis-AtovaquoneAcuvel137732-39-9566C80Atavaquone
Data from PubChem (NCBI)
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Molecular Structure
3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxynaphthalene-1,2-dione
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Drug Network
Trials and conditions connected to 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxynaphthalene-1,2-dione
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