theodrenaline Report issue

Small molecule Experimental
AACT ChEMBL DrugBank Drug Central KEGG MeSH PubChem

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Chemistry

Mol. Mass

375.39

ALogP

-0.83

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: Cn1c(=O)c2c(ncn2CCNCC(O)c2ccc(O)c(O)c2)n(C)c1=O
  • InChIKey: WMCMJIGLYZDKRN-UHFFFAOYSA-N
    InChI=1S/C17H21N5O5/c1-20-15-14(16(26)21(2)17(20)27)22(9-19-15)6-5-18-8-13(25)10-3-4-11(23)12(24)7-10/h3-4,7,9,13,18,23-25H,5-6,8H2,1-2H3
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2107608   ChEMBL
theodrenaline

Theodrenaline   Wikipedia

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