neosaxitoxin Report issue

Small molecule Experimental
AACT DrugBank PubChem

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Chemistry

Mol. Mass

315.29

ALogP

-3.54

Rule of 5

No

Rule of 3

No
Details
  • SMILES: N=C1N(O)[C@@H](COC(N)=O)[C@@H]2N=C(N)N[C@]23N1CCC3(O)O
  • InChIKey: PPEKGEBBBBNZKS-HGRQIUPRSA-N
    InChI=1S/C10H17N7O5/c11-6-14-5-4(3-22-8(13)18)17(21)7(12)16-2-1-9(19,20)10(5,16)15-6/h4-5,12,19-21H,1-3H2,(H2,13,18)(H3,11,14,15)/t4-,5-,10-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297307   ChEMBL
neosaxitoxin

Neosaxitoxin   Wikipedia

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