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Small molecule Experimental
AACT ChEMBL MeSH PubChem

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Chemistry

Mol. Mass

540.64

ALogP

2.9

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccccn2)CC1=O
  • InChIKey: BWYBBMQLUKXECQ-GIVPXCGWSA-N
    InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL203665   ChEMBL
relacatib

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