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Small molecule Imaging Experimental
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Chemistry

Mol. Mass

402.4

ALogP

1.13

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: O=C(O)CC[C@H](NC(=O)N[C@@H](CSCc1ccc(F)cc1)C(=O)O)C(=O)O
  • InChIKey: IDTMSHGCAZPVLC-RYUDHWBXSA-N
    InChI=1S/C16H19FN2O7S/c17-10-3-1-9(2-4-10)7-27-8-12(15(24)25)19-16(26)18-11(14(22)23)5-6-13(20)21/h1-4,11-12H,5-8H2,(H,20,21)(H,22,23)(H,24,25)(H2,18,19,26)/t11-,12-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1232667   ChEMBL
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