lumicitabine Report issue

Small molecule Experimental
AACT MeSH PubChem

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Chemistry

Mol. Mass

433.86

ALogP

1.44

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(C)C(=O)OC[C@@]1(CCl)O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1OC(=O)C(C)C
  • InChIKey: MJVKYGMNSQJLIN-KYZVSKTDSA-N
    InChI=1S/C18H25ClFN3O6/c1-9(2)15(24)27-8-18(7-19)13(28-16(25)10(3)4)12(20)14(29-18)23-6-5-11(21)22-17(23)26/h5-6,9-10,12-14H,7-8H2,1-4H3,(H2,21,22,26)/t12-,13+,14-,18-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3417258   ChEMBL
lumicitabine *

Lumicitabine   Wikipedia

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