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Small molecule Experimental
AACT ChEMBL DrugBank PubChem

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Chemistry

Mol. Mass

451.92

ALogP

2.83

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COc1cc(N2CCN(C(=O)Cn3nc(-c4ncc[nH]4)c4cccnc43)CC2)ccc1Cl
  • InChIKey: ZIMLRKWQDLVPEK-UHFFFAOYSA-N
    InChI=1S/C22H22ClN7O2/c1-32-18-13-15(4-5-17(18)23)28-9-11-29(12-10-28)19(31)14-30-22-16(3-2-6-26-22)20(27-30)21-24-7-8-25-21/h2-8,13H,9-12,14H2,1H3,(H,24,25)
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545404   ChEMBL
ccx354

CHEMBL4444976   ChEMBL
ccx354

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