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Small molecule Experimental
AACT

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Chemistry

Mol. Mass

321.43

ALogP

1.75

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C[C@@H]1CC[C@@H](Nc2nc(NC(C)(C)C)ncc2C(N)=O)C[C@H]1O
  • InChIKey: QBBRJRLJWXRSHQ-CKYFFXLPSA-N
    InChI=1S/C16H27N5O2/c1-9-5-6-10(7-12(9)22)19-14-11(13(17)23)8-18-15(20-14)21-16(2,3)4/h8-10,12,22H,5-7H2,1-4H3,(H2,17,23)(H2,18,19,20,21)/t9-,10-,12-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4847106   ChEMBL
cc-90001

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