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Small molecule Experimental
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Chemistry

Mol. Mass

407.45

ALogP

2.02

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1
  • InChIKey: SQOCEMCKYDVLMM-UHFFFAOYSA-N
    InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3597971   ChEMBL
seltorexant

Seltorexant   Wikipedia

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