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| Ligand Name: BRL42715 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB787 |
PubChem:
6436245
|
Synonym(s):
- schembl9663942
- 6-(1-methyl-1h-1,2,3-triazole-4-ylmethylene)-2,3-didehydro-3,3-didesmethylpenicillanic acid
show 1 synonym(s)
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| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: Cn1cc(\C=C2\[C@H]3SC=C(N3C2=O)C(O)=O)nn1 |
| Standard InChI: InChI=1S/C10H8N4O3S/c1-13-3-5(11-12-13)2-6-8(15)14-7(10(16)17)4-18-9(6)14/h2-4,9H,1H3,(H,16,17)/b6-2+/t9-/m1/s1 |
| Molecular Formula: C10H8N4O3S |
Mol. Weight: 264.0317 |
logP: 0.0396 |
| HBD: 1 | HBA: 6 |
| #Rotatable Bonds: 2 | TPSA: 88.32 |