Opigolix Report issue

Small molecule Experimental
AACT PubChem

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Chemistry

Mol. Mass

544.51

ALogP

3.56

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C[C@@H](O)C(=N)NS(=O)(=O)c1cc(C(=O)C(C(=O)c2cc(F)ccc2F)=C2Nc3ccccc3N2)ccc1F
  • InChIKey: CWNLBPBIFALUQD-GFCCVEGCSA-N
    InChI=1S/C25H19F3N4O5S/c1-12(33)24(29)32-38(36,37)20-10-13(6-8-17(20)28)22(34)21(23(35)15-11-14(26)7-9-16(15)27)25-30-18-4-2-3-5-19(18)31-25/h2-12,30-31,33H,1H3,(H2,29,32)/t12-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3989969   ChEMBL
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