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Small molecule Experimental
AACT ChEMBL Drug Central KEGG MeSH PubChem

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Chemistry

Mol. Mass

393.36

ALogP

1.99

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(cccc5nc34)[N+](=O)[O-])C2=O
  • InChIKey: VHXNKPBCCMUMSW-FQEVSTJZSA-N
    InChI=1S/C20H15N3O6/c1-2-20(26)13-7-16-17-10(8-22(16)18(24)12(13)9-29-19(20)25)6-11-14(21-17)4-3-5-15(11)23(27)28/h3-7,26H,2,8-9H2,1H3/t20-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL77305   ChEMBL
rubitecan

Rubitecan   Wikipedia

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