ds-1971 Report issue

Small molecule Experimental
AACT PubChem

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Chemistry

Mol. Mass

465.94

ALogP

3.91

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl
  • InChIKey: OJKONCJPCULNOW-DYVFJYSZSA-N
    InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4633566   ChEMBL
ds-1971

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