cx 5461 Report issue

Small molecule Experimental
AACT MeSH PubChem

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Chemistry

Mol. Mass

513.63

ALogP

3.23

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1
  • InChIKey: XGPBJCHFROADCK-UHFFFAOYSA-N
    InChI=1S/C27H27N7O2S/c1-17-14-29-18(15-28-17)16-30-26(36)23-24(35)19-8-9-22(33-11-5-10-32(2)12-13-33)31-25(19)34-20-6-3-4-7-21(20)37-27(23)34/h3-4,6-9,14-15H,5,10-13,16H2,1-2H3,(H,30,36)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4303309   ChEMBL
cx-5461

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