chf6333 Report issue

Small molecule Experimental
AACT

Back

Chemistry

Mol. Mass

541.5448

ALogP

Missing data

Rule of 5

Missing data

Rule of 3

Missing data
Details
  • SMILES: COC(=O)C1=C(C)N(C2=NNC(=O)N2[C@@H]1C3=CC=C(C=C3CC[N+](C)(C)C)C#N)C4=CC=CC(=C4)C(F)(F)F
  • InChIKey: IHTRPSMRGYWUIM-HSZRJFAPSA-O
    1S/C27H27F3N6O3/c1-16-22(24(37)39-5)23(21-10-9-17(15-31)13-18(21)11-12-36(2,3)4)35-25(32-33-26(35)38)34(16)20-8-6-7-19(14-20)27(28,29)30/h6-10,13-14,23H,11-12H2,1-5H3/p+1/t23-/m1/s1
  • Chirality: None
  • Inorganic: Missing data
  • Polymer: Missing data

Sources

00174624E2   NCATS
chf-6333 cation *

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