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Chemistry

Mol. Mass

458.53

ALogP

2.9

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(C)N1C[C@@H]2C[C@H]1CN2c1ccc(Nc2ncc(-c3coc(C(N)=O)c3)n3ncnc23)cc1
  • InChIKey: YBFGSJUVEOYPIS-OALUTQOASA-N
    InChI=1S/C24H26N8O2/c1-14(2)30-10-19-8-18(30)11-31(19)17-5-3-16(4-6-17)29-23-24-27-13-28-32(24)20(9-26-23)15-7-21(22(25)33)34-12-15/h3-7,9,12-14,18-19H,8,10-11H2,1-2H3,(H2,25,33)(H,26,29)/t18-,19-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545338   ChEMBL
glpg-0259

CHEMBL5095028   ChEMBL
glpg-0259

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