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Small molecule Experimental
AACT PubChem

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Chemistry

Mol. Mass

221.31

ALogP

0.72

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(C)c1cc(N2CC[C@@H](N)C2)nc(N)n1
  • InChIKey: COOGVHJHSCBOQT-MRVPVSSYSA-N
    InChI=1S/C11H19N5/c1-7(2)9-5-10(15-11(13)14-9)16-4-3-8(12)6-16/h5,7-8H,3-4,6,12H2,1-2H3,(H2,13,14,15)/t8-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3236549   ChEMBL
jnj-39758979

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