jab-3068 Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

476.55

ALogP

2.61

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(=O)N1CC(F)(F)c2c(Sc3ncc(N4CCC5(CC4)COC[C@H]5N)nc3N)cccc21
  • InChIKey: HGYTYZKWKUXRKA-MRXNPFEDSA-N
    InChI=1S/C22H26F2N6O2S/c1-13(31)30-11-22(23,24)18-14(30)3-2-4-15(18)33-20-19(26)28-17(9-27-20)29-7-5-21(6-8-29)12-32-10-16(21)25/h2-4,9,16H,5-8,10-12,25H2,1H3,(H2,26,28)/t16-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL5095185   ChEMBL
jab-3068

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