selgantolimod Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

293.35

ALogP

2.1

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCCC[C@](C)(CO)Nc1nc(N)nc2cc(F)cnc12
  • InChIKey: HTCJUBZBSJQWBW-CQSZACIVSA-N
    InChI=1S/C14H20FN5O/c1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11/h6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20)/t14-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4594258   ChEMBL
selgantolimod

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