dorzagliatin Report issue

Small molecule Experimental
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Chemistry

Mol. Mass

462.93

ALogP

2.05

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(C)C[C@@H](C(=O)Nc1ccn(C[C@@H](O)CO)n1)N1CC(Oc2ccccc2Cl)=CC1=O
  • InChIKey: HMUMWSORCUWQJO-QAPCUYQASA-N
    InChI=1S/C22H27ClN4O5/c1-14(2)9-18(22(31)24-20-7-8-26(25-20)11-15(29)13-28)27-12-16(10-21(27)30)32-19-6-4-3-5-17(19)23/h3-8,10,14-15,18,28-29H,9,11-13H2,1-2H3,(H,24,25,31)/t15-,18+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297508   ChEMBL
dorzagliatin

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