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Chemistry

Mol. Mass

457.45

ALogP

-0.52

Rule of 5

No

Rule of 3

No
Details
  • SMILES: NC1=NC(=O)C2=C(NCC3CN(CN23)c4ccc(cc4)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N1
  • InChIKey: QYNUQALWYRSVHF-ABLWVSNPSA-N
    InChI=1S/C20H23N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t12?,13-/m0/s1
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL117348   ChEMBL
folitixorin

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