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Small molecule Experimental
AACT DrugBank MeSH PubChem

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Chemistry

Mol. Mass

349.48

ALogP

3.58

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21
  • InChIKey: WVLHHLRVNDMIAR-IBGZPJMESA-N
    InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL518924   ChEMBL
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