exatecan Report issue

Small molecule Experimental
AACT ChEMBL DrugBank Drug Central MeSH PubChem

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Chemistry

Mol. Mass

567.59

ALogP

2.47

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](N)CC3.CS(=O)(=O)O.O.O
  • InChIKey: FXQZOHBMBQTBMJ-MWPGLPCQSA-N
    InChI=1S/C24H22FN3O4.CH4O3S.2H2O/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19;1-5(2,3)4;;/h6-7,16,31H,3-5,8-9,26H2,1-2H3;1H3,(H,2,3,4);2*1H2/t16-,24-;;;/m0.../s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3989759   ChEMBL
exatecan mesylate *

CHEMBL1614650   ChEMBL
exatecan

CHEMBL2106563   ChEMBL

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