gdc-0917 Report issue

Small molecule Experimental
AACT DrugBank PubChem

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Chemistry

Mol. Mass

564.71

ALogP

4.07

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(-c2ncco2)nc1-c1ccccc1)C1CCCCC1
  • InChIKey: HSHPBORBOJIXSQ-HARLFGEKSA-N
    InChI=1S/C29H36N6O4S/c1-18(30-2)24(36)32-23(20-12-7-4-8-13-20)29(38)35-16-9-14-21(35)25(37)34-27-22(19-10-5-3-6-11-19)33-28(40-27)26-31-15-17-39-26/h3,5-6,10-11,15,17-18,20-21,23,30H,4,7-9,12-14,16H2,1-2H3,(H,32,36)(H,34,37)/t18-,21-,23-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297282   ChEMBL
gdc-0917

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