SK&F 88070

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Ligands
SK&F 88070

GtoPdb Ligand ID: 11049

Synonyms: Skf 88070

Compound class: Synthetic organic

Comment: SK&F 88070 is a broad-spectrum, β-lactam (cephalosporin) antibacterial [2].

2D Structure

Physico-chemical Properties

Hydrogen bond acceptors	15
Hydrogen bond donors	5
Rotatable bonds	13
Topological polar surface area	344.43
Molecular weight	620.03
XLogP	-3.98
No. Lipinski's rules broken	2

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

SMILES / InChI / InChIKey

Canonical SMILES	CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1CCNS(=O)(=O)O
Isomeric SMILES	CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1CCNS(=O)(=O)O
InChI	InChI=1S/C17H20N10O8S4/c1-35-23-9(8-6-37-16(18)20-8)12(28)21-10-13(29)27-11(15(30)31)7(4-36-14(10)27)5-38-17-22-24-25-26(17)3-2-19-39(32,33)34/h6,10,14,19H,2-5H2,1H3,(H2,18,20)(H,21,28)(H,30,31)(H,32,33,34)/b23-9-/t10-,14-/m1/s1
InChI Key	ARWJIPOQKKRGCN-UPRLUYEASA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)