etarfolatide Report issue

Small molecule Imaging Experimental
AACT DrugBank PubChem

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Chemistry

Mol. Mass

730.72

ALogP

-2.86

Rule of 5

No

Rule of 3

No
Details
  • SMILES: N[C@@H](CNC(=O)CC[C@@H](NC(=O)c1ccc(NCc2c[nH]c3ncnc(=O)c-3n2)cc1)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)O
  • InChIKey: YZSIZVRFVQKMJU-RDGPPVDQSA-N
    InChI=1S/C29H34N10O11S/c30-16(25(44)38-18(7-21(41)42)26(45)39-19(11-51)29(49)50)10-32-20(40)6-5-17(28(47)48)37-24(43)13-1-3-14(4-2-13)31-8-15-9-33-23-22(36-15)27(46)35-12-34-23/h1-4,9,12,16-19,31,51H,5-8,10-11,30H2,(H,32,40)(H,37,43)(H,38,44)(H,39,45)(H,41,42)(H,47,48)(H,49,50)(H,33,34,35,46)/t16-,17+,18-,19-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297280   ChEMBL
etarfolatide

Technetium (99mTc) etarfolatide   Wikipedia

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