vocacapsaicin Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

459.63

ALogP

4.66

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CNCC1CCCCN1C(=O)Oc1ccc(CNC(=O)CCCC/C=C/C(C)C)cc1OC
  • InChIKey: BXAQOVOOXOHMFY-YRNVUSSQSA-N
    InChI=1S/C26H41N3O4/c1-20(2)11-7-5-6-8-13-25(30)28-18-21-14-15-23(24(17-21)32-4)33-26(31)29-16-10-9-12-22(29)19-27-3/h7,11,14-15,17,20,22,27H,5-6,8-10,12-13,16,18-19H2,1-4H3,(H,28,30)/b11-7+
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4594294   ChEMBL
vocacapsaicin

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