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Small molecule Experimental
AACT

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Chemistry

Mol. Mass

588.75

ALogP

3.79

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)C(=NO)c2cc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)ccc2C3=NO)C1
  • InChIKey: GAPRVZKWPDRAJA-QOPKLXIQSA-N
    InChI=1S/C28H36N4O6S2/c1-17-9-18(2)14-31(13-17)39(35,36)21-5-7-23-25(11-21)28(30-34)26-12-22(6-8-24(26)27(23)29-33)40(37,38)32-15-19(3)10-20(4)16-32/h5-8,11-12,17-20,33-34H,9-10,13-16H2,1-4H3/b29-27-,30-28-/t17-,18+,19-,20+
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3601411   ChEMBL
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