Molecule

Bacillamide A

AlkaPlorer ID: AK019395

Synonym: Microbiaeratinin

IUPAC Name: 2-acetyl-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide

SMILES: CC(=O)C1=NC(C(O)=NCCC2=CNC3=CC=CC=C23)=CS1

InChI: InChI=1S/C16H15N3O2S/c1-10(20)16-19-14(9-22-16)15(21)17-7-6-11-8-18-13-5-3-2-4-12(11)13/h2-5,8-9,18H,6-7H2,1H3,(H,17,21)

InChIKey: JIWXCBLXWXZOHU-UHFFFAOYSA-N

PubChem CID: 11077881

CAS: 637344-98-0

LOTUS: LTS0242394

NPASS: NPC75907

COCONUT: CNP0172144

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NPAtlas: NPA012644

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Bacillus	Bacillidae	Phasmatodea	Insecta	Arthropoda	Metazoa	Eukaryota
Tricladium sp.	Tricladium	Tricladiaceae	Helotiales	Leotiomycetes	Ascomycota	Fungi	Eukaryota
Laceyella sacchari	Laceyella	Thermoactinomycetaceae	Bacillales	Bacilli	Bacillota	None	Bacteria
None	Microbispora	Streptosporangiaceae	Streptosporangiales	Actinomycetes	Actinomycetota	None	Bacteria
Bacillus sp. SY-1	Bacillus	Bacillaceae	Bacillales	Bacilli	Bacillota	None	Bacteria

Molecule Weight: 313.382

TPSA？: 78.34

MolLogP？: 3.3743000000000016

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 3

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Staphylococcus aureus	Staphylococcus aureus	Activity	nan	None	10.1021/np070126a
None	NON-PROTEIN TARGET	Activity	nan	None	10.1021/np070126a
None	NON-PROTEIN TARGET	Inhibition	42.0	%	10.1016/j.ejmech.2016.07.033
None	NON-PROTEIN TARGET	Inhibition	46.0	%	10.1016/j.ejmech.2016.07.033
None	NON-PROTEIN TARGET	Inhibition	56.0	%	10.1016/j.ejmech.2016.07.033
None	NON-PROTEIN TARGET	Inhibition	58.0	%	10.1016/j.ejmech.2016.07.033
None	NON-PROTEIN TARGET	Survival	81.1	%	10.1016/j.ejmech.2016.07.033
None	NON-PROTEIN TARGET	Survival	85.1	%	10.1016/j.ejmech.2016.07.033
None	NON-PROTEIN TARGET	Survival	105.1	%	10.1016/j.ejmech.2016.07.033