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Small molecule Experimental

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Chemistry

Mol. Mass

586.57

ALogP

4.06

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Cn1cc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3cc(C(F)(F)F)ccn3)C2)cn1
  • InChIKey: WANIDIGFXJFFEL-SANMLTNESA-N
    InChI=1S/C27H22F4N6O3S/c1-35-15-22(14-33-35)41(39,40)36-9-7-18-11-24-17(13-34-37(24)21-4-2-20(28)3-5-21)12-26(18,16-36)25(38)23-10-19(6-8-32-23)27(29,30)31/h2-6,8,10-11,13-15H,7,9,12,16H2,1H3/t26-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4068611   ChEMBL
relacorilant

Relacorilant   Wikipedia

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