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Small molecule Experimental
AACT ChEMBL MeSH PubChem

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Chemistry

Mol. Mass

851.42

ALogP

4.67

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C=CC(=O)Nc1cc(C#CC(C)(C)N2CCN(C)CC2)cc2ncnc(Nc3ccc(F)c(Cl)c3)c12.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1
  • InChIKey: BRZCZOWSDKKGGK-UHFFFAOYSA-N
    InChI=1S/C27H28ClFN6O.2C7H8O3S/c1-5-24(36)33-23-15-18(8-9-27(2,3)35-12-10-34(4)11-13-35)14-22-25(23)26(31-17-30-22)32-19-6-7-21(29)20(28)16-19;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-7,14-17H,1,10-13H2,2-4H3,(H,33,36)(H,30,31,32);2*2-5H,1H3,(H,8,9,10)
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545002   ChEMBL
mp-412

CHEMBL5095024   ChEMBL
mp-412

CHEMBL5095492   ChEMBL
mp-412

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