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Chemistry

Mol. Mass

822.9402

ALogP

0.4

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C4=C(O)C(\C=N\N5CCN(C)CC5)=C(NC(=O)C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(O)=C4C(O)=C3C
  • InChIKey: JQXXHWHPUNPDRT-WLSIYKJHSA-N
    1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1236282   ChEMBL
thiamphenicol

CHEMBL1697822   ChEMBL
thiamphenicol glycinate

CHEMBL374478   ChEMBL
rifampin

VJT6J7R4TR   NCATS
rifampin *

Rifampicin   Wikipedia

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