Cemdomespib Report issue

Small molecule Experimental
AACT

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Chemistry

Mol. Mass

447.5

ALogP

2.42

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc(CCNC(C)=O)c(-c3cccc(F)c3)c2)OC1(C)C
  • InChIKey: PDBWOHBMJQOBHL-WBADGQHESA-N
    InChI=1S/C24H30FNO6/c1-14(27)26-11-10-15-8-9-18(13-19(15)16-6-5-7-17(25)12-16)31-23-21(29)20(28)22(30-4)24(2,3)32-23/h5-9,12-13,20-23,28-29H,10-11H2,1-4H3,(H,26,27)/t20-,21+,22+,23+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2159227   ChEMBL
cemdomespib

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