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Small molecule Experimental

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Chemistry

Mol. Mass

438.521

ALogP

Missing data

Rule of 5

Missing data

Rule of 3

Missing data
Details
  • SMILES: COC1=CC(F)=CC=C1C2=C(C)SC3=CN=C(NC4=CN(N=C4)C5CCNCC5)N=C23
  • InChIKey: AVIOBQFPAGEICQ-UHFFFAOYSA-N
    1S/C22H23FN6OS/c1-13-20(17-4-3-14(23)9-18(17)30-2)21-19(31-13)11-25-22(28-21)27-15-10-26-29(12-15)16-5-7-24-8-6-16/h3-4,9-12,16,24H,5-8H2,1-2H3,(H,25,27,28)
  • Chirality: None
  • Inorganic: Missing data
  • Polymer: Missing data

Sources

DL772G3NN7   NCATS
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Data collection and curation is an ongoing process for CDEK - if you notice any information here to be missing or incorrect, please let us know! When possible, please include a source URL (we verify all data prior to inclusion).

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