Polycarpathiamine A
AlkaPlorer ID: AK118871
Synonym: 3-Amino-5-(4-hydroxybenzoyl)-1,2,4-thiadiazole
IUPAC Name: (3-amino-1,2,4-thiadiazol-5-yl)-(4-hydroxyphenyl)methanone
Structure
SMILES: NC1=NSC(C(=O)C2=CC=C(O)C=C2)=N1
InChI: InChI=1S/C9H7N3O2S/c10-9-11-8(15-12-9)7(14)5-1-3-6(13)4-2-5/h1-4,13H,(H2,10,12)
InChIKey: QKKSOIQCFMTEFT-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Polycarpa aurata | Polycarpa | Styelidae | Stolidobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 221.241
TPSA？: 89.1
MolLogP？: 1.0569
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | L5178Y | IC50 | 410.0 | nM | 10.1021/acs.jnatprod.7b00575 |