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Small molecule Experimental
AACT ChEMBL

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Chemistry

Mol. Mass

716.29

ALogP

5.94

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C[C@H](N)C(=O)N[C@@H](C)C(=O)OCCOc1ccc(-c2c(C#N)c(SCc3csc(-c4ccc(Cl)cc4)n3)nc(N3CCCC3)c2C#N)cc1
  • InChIKey: WESNEIGKOAXSGX-VXKWHMMOSA-N
    InChI=1S/C35H34ClN7O4S2/c1-21(39)32(44)40-22(2)35(45)47-16-15-46-27-11-7-23(8-12-27)30-28(17-37)31(43-13-3-4-14-43)42-34(29(30)18-38)49-20-26-19-48-33(41-26)24-5-9-25(36)10-6-24/h5-12,19,21-22H,3-4,13-16,20,39H2,1-2H3,(H,40,44)/t21-,22-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545405   ChEMBL
bay1067197

CHEMBL5314392   ChEMBL
bay1067197

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