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Small molecule Experimental

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Chemistry

Mol. Mass

379.87

ALogP

3.6

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COC(=O)[C@H](c1ccccc1Cl)N1CCc2sc(OC(C)=O)cc2C1
  • InChIKey: GNHHCBSBCDGWND-KRWDZBQOSA-N
    InChI=1S/C18H18ClNO4S/c1-11(21)24-16-9-12-10-20(8-7-15(12)25-16)17(18(22)23-2)13-5-3-4-6-14(13)19/h3-6,9,17H,7-8,10H2,1-2H3/t17-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2042273   ChEMBL
vicagrel

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