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Small molecule Experimental
AACT ChEMBL MeSH PubChem

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Chemistry

Mol. Mass

462.55

ALogP

4.56

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C1=C/COCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2ccc(o2)COC/1
  • InChIKey: NNXDIGHYPZHXTR-ONEGZZNKSA-N
    InChI=1S/C26H30N4O4/c1-2-12-30(11-1)13-16-33-24-7-5-21-17-20(24)18-31-14-3-4-15-32-19-22-6-8-25(34-22)23-9-10-27-26(28-21)29-23/h3-10,17H,1-2,11-16,18-19H2,(H,27,28,29)/b4-3+
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2035185   ChEMBL
ct-1578

CHEMBL3544962   ChEMBL
ct-1578

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