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Small molecule Experimental
AACT ChEMBL DrugBank PubChem

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Chemistry

Mol. Mass

452.56

ALogP

2.27

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(C2COC2)C3)cc1
  • InChIKey: RGJOJUGRHPQXGF-INIZCTEOSA-N
    InChI=1S/C24H32N6O3/c1-3-25-24(31)26-18-6-4-17(5-7-18)22-27-21-12-29(19-14-33-15-19)9-8-20(21)23(28-22)30-10-11-32-13-16(30)2/h4-7,16,19H,3,8-15H2,1-2H3,(H2,25,26,31)/t16-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2331680   ChEMBL
rg-7603

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