Giredestrant Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

522.56

ALogP

4.87

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO
  • InChIKey: GQCXHIKRWBIQMD-AKJBCIBTSA-N
    InChI=1S/C27H31F5N4O/c1-16-9-20-19-5-2-3-6-23(19)34-25(20)26(36(16)14-27(31,32)15-37)24-21(29)10-17(11-22(24)30)33-18-12-35(13-18)8-4-7-28/h2-3,5-6,10-11,16,18,26,33-34,37H,4,7-9,12-15H2,1H3/t16-,26-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4650316   ChEMBL
giredestrant

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