ciforadenant Report issue

Small molecule Experimental
AACT PubChem

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Chemistry

Mol. Mass

407.43

ALogP

2.12

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: Cc1ccc(-c2nc(N)nc3c2nnn3Cc2cccc(CO[C@H]3CCOC3)n2)o1
  • InChIKey: KURQKNMKCGYWRJ-HNNXBMFYSA-N
    InChI=1S/C20H21N7O3/c1-12-5-6-16(30-12)17-18-19(24-20(21)23-17)27(26-25-18)9-13-3-2-4-14(22-13)10-29-15-7-8-28-11-15/h2-6,15H,7-11H2,1H3,(H2,21,23,24)/t15-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297184   ChEMBL
ciforadenant

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