al-12182 Report issue

Small molecule Experimental
AACT

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Chemistry

Mol. Mass

467.0

ALogP

4.47

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(C)OC(=O)CCC/C=C\CC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1
  • InChIKey: SGNMBLPAWMQIHK-LYTYUWFYSA-N
    InChI=1S/C25H35ClO6/c1-18(2)32-25(29)12-7-5-3-4-6-11-22-23(28)17-31-24(22)14-13-20(27)16-30-21-10-8-9-19(26)15-21/h3-4,8-10,13-15,18,20,22-24,27-28H,5-7,11-12,16-17H2,1-2H3/b4-3-,14-13+/t20-,22+,23+,24-/m1/s1
  • Chirality: None
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL184999   ChEMBL
al-12182

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