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Small molecule Experimental
AACT DrugBank PubChem

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Chemistry

Mol. Mass

399.49

ALogP

2.77

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: O=C(NCCCOc1ccc2[nH]c(=O)ccc2c1)N(C1CC1)[C@@H]1CCCC[C@H]1O
  • InChIKey: ULGNGSQNNMKROG-WOJBJXKFSA-N
    InChI=1S/C22H29N3O4/c26-20-5-2-1-4-19(20)25(16-7-8-16)22(28)23-12-3-13-29-17-9-10-18-15(14-17)6-11-21(27)24-18/h6,9-11,14,16,19-20,26H,1-5,7-8,12-13H2,(H,23,28)(H,24,27)/t19-,20-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL284838   ChEMBL
k-134

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