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Small molecule Experimental
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Chemistry

Mol. Mass

587.91

ALogP

7.37

Rule of 5

No

Rule of 3

No
Details
  • SMILES: O=C(c1ccccc1Cl)c1cccnc1-c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccncc1
  • InChIKey: CAVRKWRKTNINFF-UHFFFAOYSA-N
    InChI=1S/C28H16ClF6N5O/c29-22-6-2-1-4-20(22)26(41)21-5-3-9-37-23(21)24-25(17-7-10-36-11-8-17)40(39-38-24)15-16-12-18(27(30,31)32)14-19(13-16)28(33,34)35/h1-14H,15H2
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3544984   ChEMBL
tradipitant

Tradipitant   Wikipedia

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