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Small molecule Experimental
AACT

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Chemistry

Mol. Mass

445.507

ALogP

Missing data

Rule of 5

Missing data

Rule of 3

Missing data
Details
  • SMILES: COC1=CC=C(C=C1OCCC2=CC=CC(C)=C2)C(=O)NC3(CC4=C(C3)C=CC=C4)C(O)=O
  • InChIKey: SOJDTNUCCXWTMG-UHFFFAOYSA-N
    1S/C27H27NO5/c1-18-6-5-7-19(14-18)12-13-33-24-15-20(10-11-23(24)32-2)25(29)28-27(26(30)31)16-21-8-3-4-9-22(21)17-27/h3-11,14-15H,12-13,16-17H2,1-2H3,(H,28,29)(H,30,31)
  • Chirality: None
  • Inorganic: Missing data
  • Polymer: Missing data

Sources

Y76WZ464EY   NCATS
sar-100842 *

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Data collection and curation is an ongoing process for CDEK - if you notice any information here to be missing or incorrect, please let us know! When possible, please include a source URL (we verify all data prior to inclusion).

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