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Small molecule Experimental
AACT ChEMBL

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Chemistry

Mol. Mass

472.01

ALogP

4.79

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COc1cc2c(cc1S(=O)(=O)c1ccc(OCc3ccc(Cl)cc3)cc1)CCN(C)CC2
  • InChIKey: HIBWHHQXUSKNOV-UHFFFAOYSA-N
    InChI=1S/C25H26ClNO4S/c1-27-13-11-19-15-24(30-2)25(16-20(19)12-14-27)32(28,29)23-9-7-22(8-10-23)31-17-18-3-5-21(26)6-4-18/h3-10,15-16H,11-14,17H2,1-2H3
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545102   ChEMBL
sb-773812

CHEMBL5314394   ChEMBL
sb-773812

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