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Chemistry

Mol. Mass

502.64

ALogP

1.96

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N(C)Cc2ccc(cc2)C3=NCCN3
  • InChIKey: AMTQCENHQIDBHQ-UHFFFAOYSA-N
    InChI=1S/C25H34N4O5S/c1-18-14-22(33-5)15-19(2)24(18)35(31,32)29(4)12-13-34-17-23(30)28(3)16-20-6-8-21(9-7-20)25-26-10-11-27-25/h6-9,14-15H,10-13,16-17H2,1-5H3,(H,26,27)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1254771   ChEMBL
safotibant

Safotibant   Wikipedia

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