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Small molecule Experimental
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Chemistry

Mol. Mass

453.57

ALogP

2.71

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: Cn1nccc1Nc1nccc(-c2cc3c(s2)C(C)(C)N(CCN2CCOCC2)C3=O)n1
  • InChIKey: JNPRPMBJODOFEC-UHFFFAOYSA-N
    InChI=1S/C22H27N7O2S/c1-22(2)19-15(20(30)29(22)9-8-28-10-12-31-13-11-28)14-17(32-19)16-4-6-23-21(25-16)26-18-5-7-24-27(18)3/h4-7,14H,8-13H2,1-3H3,(H,23,25,26)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4650285   ChEMBL
temuterkib

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