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Small molecule Experimental
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Chemistry

Mol. Mass

556.59

ALogP

5.37

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Cc1c(C(=O)Nc2ccc(Oc3ccnc4cc(OCC(C)(C)O)ccc34)c(F)c2)c(=O)n(-c2ccccc2)n1C
  • InChIKey: VQYYQSZNRVQLIS-UHFFFAOYSA-N
    InChI=1S/C31H29FN4O5/c1-19-28(30(38)36(35(19)4)21-8-6-5-7-9-21)29(37)34-20-10-13-27(24(32)16-20)41-26-14-15-33-25-17-22(11-12-23(25)26)40-18-31(2,3)39/h5-17,39H,18H2,1-4H3,(H,34,37)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3984441   ChEMBL
ningetinib

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