gs-441524 Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

291.27

ALogP

-1.86

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: N#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](CO)[C@@H](O)[C@H]1O
  • InChIKey: BRDWIEOJOWJCLU-LTGWCKQJSA-N
    InChI=1S/C12H13N5O4/c13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8/h1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16)/t7-,9-,10-,12+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2016757   ChEMBL
gs-441524

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