avn-944 Report issue

Small molecule Experimental
AACT MeSH PubChem

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Chemistry

Mol. Mass

477.52

ALogP

5.47

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC[C@H](CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(-c3cnco3)c(OC)c2)c1
  • InChIKey: GYCPCOJTCINIFZ-OXJNMPFZSA-N
    InChI=1S/C25H27N5O5/c1-4-20(10-11-26)35-25(32)28-16(2)17-6-5-7-18(12-17)29-24(31)30-19-8-9-21(22(13-19)33-3)23-14-27-15-34-23/h5-9,12-16,20H,4,10H2,1-3H3,(H,28,32)(H2,29,30,31)/t16-,20+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3349001   ChEMBL
avn-944

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