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Small molecule Experimental
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Chemistry

Mol. Mass

428.46

ALogP

5.48

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C[C@H](c1ccc(F)cc1)N(Cc1cccc(C(=O)O)c1)C(=O)c1cnc2ccccc2c1
  • InChIKey: BXNMZRPTQFVRFA-QGZVFWFLSA-N
    InChI=1S/C26H21FN2O3/c1-17(19-9-11-23(27)12-10-19)29(16-18-5-4-7-21(13-18)26(31)32)25(30)22-14-20-6-2-3-8-24(20)28-15-22/h2-15,17H,16H2,1H3,(H,31,32)/t17-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3577885   ChEMBL
pf-05105679

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