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Chemistry

Mol. Mass

482.54

ALogP

3.84

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n3c4ccccc4c5c6[C@H](O)NC(=O)c6c7c8ccccc8n2c7c35
  • InChIKey: PBCZSGKMGDDXIJ-KRUBCLEUSA-N
    InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27+,28+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL574737   ChEMBL
ucn-01

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