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Icomucret
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NAMES
  • AL-12959
  • Icomucret
SMILES
CCCCC[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChI
InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1
MOLECULAR FORMULA
C20H32O3
CROSS REFERENCES
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Icomucret

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 320.24
AlogP 5.19
HBond donors 2
HBond acceptors 3
Atoms 55
Contains toxicophore Yes
Contains PAINS No
Commercially available Yes
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Icomucret.