Compound ID | 415

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Ro 244383

Class: Beta-lactam (cephalosporin)

Spectrum of activity: Gram-positive  &  Gram-negative
Details of activity: Cell wall inhibitor and DNA synthesis inhibitor
Institute where first reported: Hoffman-La Roche, Switzerland
Year first mentioned: 1990
Highest developmental phase: Preclinical
Development status: Discontinued
Reason Dropped: Roche pulled out of antibioitc R&D in 1999
Chemical structure(s):
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Molecular weight: 770.77
Iso. SMILES: CO/N=C(\C1=CSC(=N1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N4CCN(CC4)C5=C(C=C6C(=C5)N(C=C(C6=O)C(=O)O)C7CC7)F)C(=O)O
InChI Key: FPMYMKJOKAOQMT-LJPPBSFJSA-N
Can. SMILES: CO/N=C(\C1=CSC(=N1)N)/C(=O)N[C@@H]2C(=O)N3C(=C(COC(=O)N4CCN(CC4)C5=CC6=C(C=C5F)C(=O)C(=CN6C7CC7)C(=O)O)CS[C@H]23)C(=O)O
InChI: InChI=1S/C32H31FN8O10S2/c1-50-37-22(19-13-53-31(34)35-19)26(43)36-23-27(44)41-24(30(47)48)14(12-52-28(23)41)11-51-32(49)39-6-4-38(5-7-39)21-9-20-16(8-18(21)33)25(42)17(29(45)46)10-40(20)15-2-3-15/h8-10,13,15,23,28H,2-7,11-12H2,1H3,(H2,34,35)(H,36,43)(H,45,46)(H,47,48)/b37-22+/t23-,28-/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/9578308
Citations:
  • http://www.fiercebiotech.com/story/roche-heralds-its-return-antibiotics-field-560m-polyphor-deal/2013-11-04

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