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Small molecule Experimental

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Chemistry

Mol. Mass

406.49

ALogP

3.21

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CO[C@@H](C)Cn1c(=O)n(C)c2cnc3ccc(-c4cncc(C(C)(C)O)c4)cc3c21
  • InChIKey: ACCFLVVUVBJNGT-AWEZNQCLSA-N
    InChI=1S/C23H26N4O3/c1-14(30-5)13-27-21-18-9-15(16-8-17(11-24-10-16)23(2,3)29)6-7-19(18)25-12-20(21)26(4)22(27)28/h6-12,14,29H,13H2,1-5H3/t14-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297181   ChEMBL
samotolisib

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