Molecule

Butanochelin

AlkaPlorer ID: AK328227

Synonym: None

IUPAC Name: N-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-2,3-dihydroxybenzamide

SMILES: O=C(NCCCCNC(=O)C1=CC=CC(O)=C1O)C1=CC=CC(O)=C1O

InChI: InChI=1S/C18H20N2O6/c21-13-7-3-5-11(15(13)23)17(25)19-9-1-2-10-20-18(26)12-6-4-8-14(22)16(12)24/h3-8,21-24H,1-2,9-10H2,(H,19,25)(H,20,26)

InChIKey: FBRVRHJYPWFVCL-UHFFFAOYSA-N

PubChem CID: 10338559

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NPAtlas: NPA033093

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Acinetobacter bouvetii	Acinetobacter	Moraxellaceae	Moraxellales	Gammaproteobacteria	Pseudomonadota	None	Bacteria

Molecule Weight: 360.3660000000001

TPSA？: 139.12

MolLogP？: 1.4489999999999992

Number of H-Donors: 6

Number of H-Acceptors: 6

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Coxsackievirus B4	Coxsackievirus B4	Activity	nan	None	10.1016/j.ejmech.2015.01.033
Felid alphaherpesvirus 1	Felid alphaherpesvirus 1	Activity	nan	None	10.1016/j.ejmech.2015.01.033
Feline coronavirus	Feline coronavirus	Activity	nan	None	10.1016/j.ejmech.2015.01.033
Homo sapiens	CCRF-CEM	CC50	5200.0	nM	10.1016/j.ejmech.2015.01.033
Human immunodeficiency virus 1	Human immunodeficiency virus 1	EC50	2000.0	nM	10.1016/j.ejmech.2015.01.033
Human respirovirus 3	Human respirovirus 3	Activity	nan	None	10.1016/j.ejmech.2015.01.033
Influenza A virus	Influenza A virus	Activity	nan	None	10.1016/j.ejmech.2015.01.033
Influenza A virus H3N2	Influenza A virus H3N2	Activity	nan	None	10.1016/j.ejmech.2015.01.033
Punta Toro virus	Punta Toro virus	Activity	nan	None	10.1016/j.ejmech.2015.01.033
Reovirus sp.	Reovirus sp.	Activity	nan	None	10.1016/j.ejmech.2015.01.033
Respiratory syncytial virus	Respiratory syncytial virus	Activity	nan	None	10.1016/j.ejmech.2015.01.033
Sindbis virus	Sindbis virus	Activity	nan	None	10.1016/j.ejmech.2015.01.033
Vaccinia virus	Vaccinia virus	Activity	nan	None	10.1016/j.ejmech.2015.01.033
Vesicular stomatitis virus	Vesicular stomatitis virus	Activity	nan	None	10.1016/j.ejmech.2015.01.033
None	NON-PROTEIN TARGET	Activity	nan	None	10.1016/j.ejmech.2015.01.033