gdc-0134 Report issue

Small molecule Experimental
AACT

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Chemistry

Mol. Mass

440.4

ALogP

2.55

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F
  • InChIKey: SKMKJBYBPYBDMN-RYUDHWBXSA-N
    InChI=1S/C19H20F4N6O2/c20-17(21)31-14-3-10(6-25-16(14)24)13-5-15(29-7-12-4-11(29)8-30-12)27-18(26-13)28-2-1-19(22,23)9-28/h3,5-6,11-12,17H,1-2,4,7-9H2,(H2,24,25)/t11-,12-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3732012   ChEMBL
gdc-0134

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