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Chemistry

Mol. Mass

881.99

ALogP

4.56

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CN(C)C[C@@H]1O[C@H]2[C@@H](O1)[C@]3(C)CC[C@H]4OC[C@@]4(OC(=O)C)[C@H]3[C@H](OC(=O)c5ccccc5)[C@]6(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c7ncccc7F)C(=C2C6(C)C)C
  • InChIKey: MODVSQKJJIBWPZ-VLLPJHQWSA-N
    InChI=1S/C46H60FN3O13/c1-24-28(58-40(54)34(52)33(32-27(47)17-14-20-48-32)49-41(55)63-42(3,4)5)21-46(56)38(61-39(53)26-15-12-11-13-16-26)36-44(8,19-18-29-45(36,23-57-29)62-25(2)51)37-35(31(24)43(46,6)7)59-30(60-37)22-50(9)10/h11-17,20,28-30,33-38,52,56H,18-19,21-23H2,1-10H3,(H,49,55)/t28-,29+,30+,33-,34+,35+,36-,37+,38-,44+,45-,46+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2107787   ChEMBL
tesetaxel

Tesetaxel   Wikipedia

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