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Chemistry

Mol. Mass

468.56

ALogP

3.51

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c4cn(CCO1)c5ccccc45)c6ccccc26
  • InChIKey: ZCBUQCWBWNUWSU-SFHVURJKSA-N
    InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL91829   ChEMBL
ruboxistaurin

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