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Small molecule Experimental

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Chemistry

Mol. Mass

571.65

ALogP

4.4

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(C)(C)NCCNc1ccc(C2=NN=C(C(F)(F)F)C2)nc1C1CCN(c2ncnc3c2C(C)(C)C(=O)N3)CC1
  • InChIKey: UVKWCPOZHXNKAZ-UHFFFAOYSA-N
    InChI=1S/C28H36F3N9O/c1-26(2,3)35-11-10-32-18-7-6-17(19-14-20(39-38-19)28(29,30)31)36-22(18)16-8-12-40(13-9-16)24-21-23(33-15-34-24)37-25(41)27(21,4)5/h6-7,15-16,32,35H,8-14H2,1-5H3,(H,33,34,37,41)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4650277   ChEMBL
tas0612

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