delgocitinib Report issue

Small molecule Experimental
AACT PubChem

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Chemistry

Mol. Mass

310.36

ALogP

1.3

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C[C@H]1CN(C(=O)CC#N)[C@]12CCN(c1ncnc3[nH]ccc13)C2
  • InChIKey: LOWWYYZBZNSPDT-ZBEGNZNMSA-N
    InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297507   ChEMBL
delgocitinib

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