Back

Chemistry

Mol. Mass

416.39

ALogP

2.88

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CN(C)C(=O)CCn1nc(Nc2ccc3OC(F)(F)Oc3c2)nc1c4ccncc4
  • InChIKey: IURMHZBQEYNQOH-UHFFFAOYSA-N
    InChI=1S/C19H18F2N6O3/c1-26(2)16(28)7-10-27-17(12-5-8-22-9-6-12)24-18(25-27)23-13-3-4-14-15(11-13)30-19(20,21)29-14/h3-6,8-9,11H,7,10H2,1-2H3,(H,23,25)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545291   ChEMBL
jnj-39393406

Feedback

Data collection and curation is an ongoing process for CDEK - if you notice any information here to be missing or incorrect, please let us know! When possible, please include a source URL (we verify all data prior to inclusion).

Report issue