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Chemistry

Mol. Mass

581.65

ALogP

8.05

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Cc1cccc(F)c1C(=O)N2CCC[C@@H]([C@@H]2c3ccc(NC4CCCC4)cc3)C(=O)Nc5ccc(C)c(c5)C(F)(F)F
  • InChIKey: PUKBOVABABRILL-YZNIXAGQSA-N
    InChI=1S/C33H35F4N3O2/c1-20-12-15-25(19-27(20)33(35,36)37)39-31(41)26-10-6-18-40(32(42)29-21(2)7-5-11-28(29)34)30(26)22-13-16-24(17-14-22)38-23-8-3-4-9-23/h5,7,11-17,19,23,26,30,38H,3-4,6,8-10,18H2,1-2H3,(H,39,41)/t26-,30-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3989871   ChEMBL
avacopan *

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