razuprotafib Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

586.72

ALogP

4.45

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(=O)(=O)O)cc1)c1csc(-c2cccs2)n1
  • InChIKey: KWJDHELCGJFUHW-SFTDATJTSA-N
    InChI=1S/C26H26N4O6S3/c1-36-26(32)29-21(15-17-6-3-2-4-7-17)24(31)27-20(22-16-38-25(28-22)23-8-5-13-37-23)14-18-9-11-19(12-10-18)30-39(33,34)35/h2-13,16,20-21,30H,14-15H2,1H3,(H,27,31)(H,29,32)(H,33,34,35)/t20-,21-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3931971   ChEMBL
razuprotafib

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