xl019 Report issue

Small molecule Experimental
AACT ChEMBL DrugBank PubChem

Back

Chemistry

Mol. Mass

444.54

ALogP

3.41

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)C1CCCN1
  • InChIKey: ISOCDPQFIXDIMS-UHFFFAOYSA-N
    InChI=1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545328   ChEMBL
xl-019

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