vinflunine Report issue

Small molecule Experimental
AACT ChEMBL Drug Central KEGG MeSH PubChem

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Chemistry

Mol. Mass

816.94

ALogP

5.08

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)c5cc(OC)c(cc45)[C@]6(C[C@@H]7C[C@H](CN(C7)Cc8c6[nH]c9ccccc89)C(C)(F)F)C(=O)OC)[C@](O)([C@@H]2OC(=O)C)C(=O)OC
  • InChIKey: NMDYYWFGPIMTKO-KLCPSUAYSA-N
    InChI=1S/C45H54F2N4O8/c1-8-42-14-11-16-51-17-15-43(36(42)51)30-19-31(34(56-5)20-33(30)49(4)37(43)45(55,40(54)58-7)38(42)59-25(2)52)44(39(53)57-6)21-26-18-27(41(3,46)47)23-50(22-26)24-29-28-12-9-10-13-32(28)48-35(29)44/h9-14,19-20,26-27,36-38,48,55H,8,15-18,21-24H2,1-7H3/t26-,27+,36-,37+,38+,42+,43+,44-,45-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2110725   ChEMBL
vinflunine

CHEMBL2218881   ChEMBL

Vinflunine   Wikipedia

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