letaxaban Report issue

Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

479.99

ALogP

2.03

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: O[C@H](CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)N3CCC(CC3)N4CCCNC4=O
  • InChIKey: GEHAEMCVKDPMKO-HXUWFJFHSA-N
    InChI=1S/C22H26ClN3O5S/c23-17-4-2-16-13-19(5-3-15(16)12-17)32(30,31)14-20(27)21(28)25-10-6-18(7-11-25)26-9-1-8-24-22(26)29/h2-5,12-13,18,20,27H,1,6-11,14H2,(H,24,29)/t20-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1095032   ChEMBL
letaxaban

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