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Chemistry

Mol. Mass

465.55

ALogP

2.64

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COc1ccc(cc1CO)c2ccc3c(nc(nc3n2)N4CCOC[C@@H]4C)N5CCOC[C@@H]5C
  • InChIKey: KVLFRAWTRWDEDF-IRXDYDNUSA-N
    InChI=1S/C25H31N5O4/c1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1801204   ChEMBL
azd-8055

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