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Small molecule Experimental
AACT ChEMBL DrugBank PubChem

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Chemistry

Mol. Mass

462.55

ALogP

2.5

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CNC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1
  • InChIKey: JUSFANSTBFGBAF-IRXDYDNUSA-N
    InChI=1S/C25H30N6O3/c1-16-14-33-11-9-30(16)23-20-7-8-21(18-5-4-6-19(13-18)24(32)26-3)27-22(20)28-25(29-23)31-10-12-34-15-17(31)2/h4-8,13,16-17H,9-12,14-15H2,1-3H3,(H,26,32)/t16-,17-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2336325   ChEMBL
vistusertib *

CHEMBL1078983   ChEMBL
azd-2014

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