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Pelretin
FEATURES
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NAMES
  • BASF 43915
  • ORF 18704
  • Pelretin
  • RWJ 18704
SMILES
CC1=C(/C=C/C(C)=C/C=C/c2ccc(C(=O)O)cc2)C(C)(C)CCC1
InChI
InChI=1S/C23H28O2/c1-17(10-15-21-18(2)8-6-16-23(21,3)4)7-5-9-19-11-13-20(14-12-19)22(24)25/h5,7,9-15H,6,8,16H2,1-4H3,(H,24,25)/b9-5+,15-10+,17-7+
MOLECULAR FORMULA
C23H28O2
CROSS REFERENCES
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Pelretin

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 336.21
AlogP 6.43
HBond donors 1
HBond acceptors 2
Atoms 53
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Pelretin.