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Small molecule Experimental
AACT ChEMBL DrugBank PubChem

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Chemistry

Mol. Mass

495.51

ALogP

-0.52

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Nc1nc(=O)c2c([nH]1)NCC1CN(c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)CN21.[Ca+2]
  • InChIKey: AKUPTUNGFOADRT-ZEDZUCNESA-L
    InChI=1S/C20H23N7O6.Ca/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);/q;+2/p-2/t12?,13-;/m0./s1
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2103811   ChEMBL
folitixorin calcium

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