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Small molecule Experimental
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Chemistry

Mol. Mass

538.55

ALogP

5.92

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ncccn5)CC4)ccc3C)c(F)c12
  • InChIKey: LZAUGCMVNLZVJV-UHFFFAOYSA-N
    InChI=1S/C31H24F2N4O3/c1-17-4-5-19(28(38)37-31(12-13-31)30-35-14-3-15-36-30)16-22(17)21-10-11-23-24(26(21)33)25(29(39)34-2)27(40-23)18-6-8-20(32)9-7-18/h3-11,14-16H,12-13H2,1-2H3,(H,34,39)(H,37,38)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4093031   ChEMBL
bms-929075

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