da-6886 Report issue

Small molecule Experimental
AACT DrugBank MeSH PubChem

Back

Chemistry

Mol. Mass

406.92

ALogP

2.05

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2ccnn2)CC1
  • InChIKey: AULLTYAISZREAX-UHFFFAOYSA-N
    InChI=1S/C19H27ClN6O2/c1-28-18-12-17(21)16(20)11-15(18)19(27)22-13-14-3-8-25(9-4-14)6-2-7-26-10-5-23-24-26/h5,10-12,14H,2-4,6-9,13,21H2,1H3,(H,22,27)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3950712   ChEMBL
da-6886

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