mk-6913 Report issue

Small molecule Experimental
AACT ChEMBL PubChem

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Chemistry

Mol. Mass

401.51

ALogP

4.94

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(C)(C)n1nnc2c3c(ccc21)C1=CC(=O)CC[C@@]1(CCOc1ccccc1)C3
  • InChIKey: LYLIIGQPIKTONH-RUZDIDTESA-N
    InChI=1S/C25H27N3O2/c1-24(2,3)28-22-10-9-19-20(23(22)26-27-28)16-25(12-11-17(29)15-21(19)25)13-14-30-18-7-5-4-6-8-18/h4-10,15H,11-14,16H2,1-3H3/t25-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545274   ChEMBL
mk-6913

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