2x-121 Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

317.35

ALogP

2.39

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: O=c1[nH]nc2c3c(cccc13)N=C(CN1Cc3ccccc3C1)N2
  • InChIKey: JLFSBHQQXIAQEC-UHFFFAOYSA-N
    InChI=1S/C18H15N5O/c24-18-13-6-3-7-14-16(13)17(21-22-18)20-15(19-14)10-23-8-11-4-1-2-5-12(11)9-23/h1-7H,8-10H2,(H,22,24)(H,19,20,21)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3644587   ChEMBL
2x-121

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