agg-523 Report issue

Small molecule Experimental
AACT PubChem

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Chemistry

Mol. Mass

476.55

ALogP

4.59

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(C)(Cc1ccc(F)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(-c2ccccc2)cc1
  • InChIKey: JWQMTWCFNZSLNR-DEOSSOPVSA-N
    InChI=1S/C28H29FN2O4/c1-28(2,18-19-8-14-23(29)15-9-19)31-27(35)24(16-17-25(32)33)30-26(34)22-12-10-21(11-13-22)20-6-4-3-5-7-20/h3-15,24H,16-18H2,1-2H3,(H,30,34)(H,31,35)(H,32,33)/t24-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4859268   ChEMBL
agg-523

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