Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0R8RK
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| Former ID |
DIB003346
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| Drug Name |
Ro-25-0534
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| Synonyms |
Ro-25-0534; Ro 25-0534; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2Z)-(2-amino-4-thiazolyl)((2-(2-(3,4-dihydroxybenzoyl)hydrazino)-1,1-dimethyl-2-oxoethoxy)imino)acetyl)amino)-3-((4-(3-carboxy-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-quinolinyl)-1-piperazinyl)methyl)-8-oxo-, 6R,7R)-
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| Drug Type |
Small molecular drug
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| Indication | Bacterial infection [ICD-11: 1A00-1C4Z; ICD-10: A00-B99] | Terminated | [1] | |
| Company |
Roche Holding AG
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| Structure |
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Download2D MOL |
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| Formula |
C41H41FN10O12S2
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| Canonical SMILES |
CC(C)(C(=O)NNC(=O)C1=CC(=C(C=C1)O)O)ON=C(C2=CSC(=N2)N)C(=O)NC3C4N(C3=O)C(=C(CS4)CN5CCN(CC5)C6=C(C=C7C(=C6)N(C=C(C7=O)C(=O)O)C8CC8)F)C(=O)O
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| InChI |
1S/C41H41FN10O12S2/c1-41(2,39(63)47-46-33(56)18-3-6-27(53)28(54)11-18)64-48-29(24-17-66-40(43)44-24)34(57)45-30-35(58)52-31(38(61)62)19(16-65-36(30)52)14-49-7-9-50(10-8-49)26-13-25-21(12-23(26)42)32(55)22(37(59)60)15-51(25)20-4-5-20/h3,6,11-13,15,17,20,30,36,53-54H,4-5,7-10,14,16H2,1-2H3,(H2,43,44)(H,45,57)(H,46,56)(H,47,63)(H,59,60)(H,61,62)/b48-29-/t30-,36-/m1/s1
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| InChIKey |
IXDFVVUXTFRFQQ-MOSWNVLFSA-N
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| CAS Number |
CAS 143488-32-8
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| PubChem Compound ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002781) | |||
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