pbf-999 Report issue

Small molecule Experimental
AACT ChEMBL

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Chemistry

Mol. Mass

294.12

ALogP

0.45

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C#CCNc1nc(-n2cncn2)nc(N)c1Br
  • InChIKey: OQCWNHHZPYJHQR-UHFFFAOYSA-N
    InChI=1S/C9H8BrN7/c1-2-3-13-8-6(10)7(11)15-9(16-8)17-5-12-4-14-17/h1,4-5H,3H2,(H3,11,13,15,16)
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545271   ChEMBL
pbf-999

CHEMBL3942498   ChEMBL
pbf-999

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