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Chemistry

Mol. Mass

616.49

ALogP

6.94

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COc1cc(ccc1NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]2c3cccc(Cl)c3F)c4ccc(Cl)cc4F)C(=O)O
  • InChIKey: TVTXCJFHQKSQQM-LJQIRTBHSA-N
    InChI=1S/C31H29Cl2F2N3O4/c1-30(2,3)14-24-31(15-36,19-10-9-17(32)13-21(19)34)25(18-6-5-7-20(33)26(18)35)27(38-24)28(39)37-22-11-8-16(29(40)41)12-23(22)42-4/h5-13,24-25,27,38H,14H2,1-4H3,(H,37,39)(H,40,41)/t24-,25-,27+,31-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2402737   ChEMBL
idasanutlin

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