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Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

307.35

ALogP

2.04

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CNC(=O)c1ccc2cc([C@@]3(O)CCn4cncc43)ccc2c1
  • InChIKey: OZPFIJIOIVJZMN-SFHVURJKSA-N
    InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1921976   ChEMBL
orteronel

Orteronel   Wikipedia

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