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Chemistry

Mol. Mass

338.46

ALogP

2.84

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
  • InChIKey: BKRGVLQUQGGVSM-KBXCAEBGSA-N
    InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL157138   ChEMBL
lisuride

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