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Chemistry

Mol. Mass

544.74

ALogP

1.06

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc23
  • InChIKey: IPSYPUKKXMNCNQ-PFHKOEEOSA-N
    InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL431733   ChEMBL
namodenoson

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