kw-2478 Report issue

Small molecule Experimental
AACT PubChem

Back

Chemistry

Mol. Mass

611.13

ALogP

2.27

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCc1c(O)cc(O)c(C(=O)c2ccc(OCCN3CCOCC3)c(OC)c2)c1CC(=O)N(CCOC)CCOC.Cl
  • InChIKey: CKMGYWHSTADSIG-UHFFFAOYSA-N
    InChI=1S/C30H42N2O9.ClH/c1-5-22-23(19-28(35)32(11-13-37-2)12-14-38-3)29(25(34)20-24(22)33)30(36)21-6-7-26(27(18-21)39-4)41-17-10-31-8-15-40-16-9-31;/h6-7,18,20,33-34H,5,8-17,19H2,1-4H3;1H
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297298   ChEMBL
kw-2478

CHEMBL4300557   ChEMBL
kw-2478

Feedback

Data collection and curation is an ongoing process for CDEK - if you notice any information here to be missing or incorrect, please let us know! When possible, please include a source URL (we verify all data prior to inclusion).

Report issue