idrx-42 Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

508.63

ALogP

4.67

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Cn1cc(-c2ccc(CNc3cc(-c4cnc5cc(OCCCN6CCCC6)ccn45)ncn3)cc2)cn1
  • InChIKey: LVMAULGVWBINFP-UHFFFAOYSA-N
    InChI=1S/C29H32N8O/c1-35-20-24(18-34-35)23-7-5-22(6-8-23)17-30-28-16-26(32-21-33-28)27-19-31-29-15-25(9-13-37(27)29)38-14-4-12-36-10-2-3-11-36/h5-9,13,15-16,18-21H,2-4,10-12,14,17H2,1H3,(H,30,32,33)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL5314917   ChEMBL
idrx-42

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