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Small molecule Experimental
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Chemistry

Mol. Mass

425.52

ALogP

2.1

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CNC(=O)CC1=Cc2nn(Cc3ncc(C)c(OC)c3C)c3nc(N)nc(c23)SC1
  • InChIKey: GRBFSGXSMHPNMC-UHFFFAOYSA-N
    InChI=1S/C20H23N7O2S/c1-10-7-23-14(11(2)17(10)29-4)8-27-18-16-13(26-27)5-12(6-15(28)22-3)9-30-19(16)25-20(21)24-18/h5,7H,6,8-9H2,1-4H3,(H,22,28)(H2,21,24,25)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL5095177   ChEMBL
ds-2248

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