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Chemistry

Mol. Mass

531.7

ALogP

6.98

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Cc1cc(C)c2c3ccccc3n(Cc4cccc(c4)[C@H](C5CCCC5)C(=O)N[C@@H](CO)c6ccccc6)c2n1
  • InChIKey: AMNXBQPRODZJQR-DITALETJSA-N
    InChI=1S/C35H37N3O2/c1-23-19-24(2)36-34-32(23)29-17-8-9-18-31(29)38(34)21-25-11-10-16-28(20-25)33(27-14-6-7-15-27)35(40)37-30(22-39)26-12-4-3-5-13-26/h3-5,8-13,16-20,27,30,33,39H,6-7,14-15,21-22H2,1-2H3,(H,37,40)/t30-,33-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2105804   ChEMBL
implitapide

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