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Small molecule Experimental
AACT

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Chemistry

Mol. Mass

334.83

ALogP

3.11

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C[C@@H](N)c1cc(Cl)ccc1Cn1c(=S)[nH]c(=O)c2[nH]ccc21
  • InChIKey: BHKKSKOHRFHHIN-MRVPVSSYSA-N
    InChI=1S/C15H15ClN4OS/c1-8(17)11-6-10(16)3-2-9(11)7-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,8,18H,7,17H2,1H3,(H,19,21,22)/t8-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL5095218   ChEMBL
mitiperstat

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