methyl 1-chloro-5-hydroxy-7H,8H-imidazo[1,5-c]pyrimidine-7-carboxylate
AlkaPlorer ID: AK135565
Synonym: None
IUPAC Name: methyl 1-chloro-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxylate
Structure
SMILES: COC(=O)C1CC2=C(Cl)N=CN2C(=O)N1
InChI: InChI=1S/C8H8ClN3O3/c1-15-7(13)4-2-5-6(9)10-3-12(5)8(14)11-4/h3-4H,2H2,1H3,(H,11,14)
InChIKey: RMUXOUOVDLXXGM-UHFFFAOYSA-N
Reference
Structure based design of novel inhibitors for histidinol dehydrogenase from Geotrichum candidum
PubChem CID: 54586560
LOTUS: LTS0165308
NPASS: NPC470141
COCONUT: CNP0207771
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Geotrichum candidum | Geotrichum | Dipodascaceae | Saccharomycetales | Saccharomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 229.623
TPSA？: 73.22
MolLogP？: 0.1918999999999998
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | IC50 | 122200.0 | nM | 10.1016/j.bmcl.2010.04.116 |