daglutril Report issue

Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

534.65

ALogP

4.3

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCOC(=O)[C@H](CCCc1ccccc1)C1(C(=O)N[C@H]2CCc3ccccc3N(CC(=O)O)C2=O)CCCC1
  • InChIKey: FVWPYVZWVOLAOP-DQEYMECFSA-N
    InChI=1S/C31H38N2O6/c1-2-39-29(37)24(15-10-13-22-11-4-3-5-12-22)31(19-8-9-20-31)30(38)32-25-18-17-23-14-6-7-16-26(23)33(28(25)36)21-27(34)35/h3-7,11-12,14,16,24-25H,2,8-10,13,15,17-21H2,1H3,(H,32,38)(H,34,35)/t24-,25-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3989794   ChEMBL
daglutril *

CHEMBL2107738   ChEMBL

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