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Small molecule Experimental
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Chemistry

Mol. Mass

531.61

ALogP

5.73

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)cc1F
  • InChIKey: DZBKAUMYTFPJIS-HSZRJFAPSA-N
    InChI=1S/C28H26FN5O3S/c1-5-34(4)25(35)17-11-10-16(14-20(17)29)21-13-12-19-23(18-8-6-7-9-22(18)37-24(19)31-21)28(2,3)26(36)32-27-33-30-15-38-27/h6-15,23H,5H2,1-4H3,(H,32,33,36)/t23-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1911274   ChEMBL
bms-791826

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