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Small molecule Imaging Experimental
AACT PubChem

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Chemistry

Mol. Mass

420.53

ALogP

3.5

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CNC(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12
  • InChIKey: MZBCQWLYUQJXKA-KRWDZBQOSA-N
    InChI=1S/C22H26F2N2O2S/c1-25-21(27)17(12-15-4-2-3-5-18(15)23)14-26-9-7-22(8-10-26)20-16(6-11-28-22)13-19(24)29-20/h2-5,13,17H,6-12,14H2,1H3,(H,25,27)/t17-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2088033   ChEMBL
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