gdc-0152 Report issue

Small molecule Experimental
AACT DrugBank PubChem

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Chemistry

Mol. Mass

498.65

ALogP

2.81

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1
  • InChIKey: WZRFLSDVFPIXOV-LRQRDZAKSA-N
    InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2063869   ChEMBL
gdc-0152

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