Izencitinib Report issue

Small molecule Experimental
AACT

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Chemistry

Mol. Mass

402.51

ALogP

3.73

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: Cc1cc(Nc2cc3ncccc3c(N[C@@H]3C[C@H]4CC[C@@H](C3)N4CCC#N)n2)n[nH]1
  • InChIKey: DADAEARVGOQWHV-OSYLJGHBSA-N
    InChI=1S/C22H26N8/c1-14-10-21(29-28-14)26-20-13-19-18(4-2-8-24-19)22(27-20)25-15-11-16-5-6-17(12-15)30(16)9-3-7-23/h2,4,8,10,13,15-17H,3,5-6,9,11-12H2,1H3,(H3,25,26,27,28,29)/t15-,16-,17+
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4650343   ChEMBL
izencitinib

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