ly2881835 Report issue

Small molecule Experimental
AACT ChEMBL

Back

Chemistry

Mol. Mass

491.63

ALogP

6.41

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1
  • InChIKey: FHRWHNJJQGSCQC-LJAQVGFWSA-N
    InChI=1S/C33H33NO3/c1-2-5-29(22-32(35)36)27-12-14-30(15-13-27)37-24-26-10-8-25(9-11-26)23-34-20-18-33(19-21-34)17-16-28-6-3-4-7-31(28)33/h3-4,6-17,29H,18-24H2,1H3,(H,35,36)/t29-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545086   ChEMBL
ly2881835

CHEMBL3915620   ChEMBL
ly2881835

Feedback

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).

Report issue