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Gilletine
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NAMES
  • Gilletine
SMILES
COc1ccc2cc1Oc1ccc(cc1)CC1NCCc3cc(O)c4oc5c6c(cc(OC)c5ooc4c31)CCN(C)[C@H]6C2
InChI
InChI=1S/C35H34N2O7/c1-37-13-11-22-18-29(40-3)33-34-31(22)25(37)15-20-6-9-27(39-2)28(16-20)41-23-7-4-19(5-8-23)14-24-30-21(10-12-36-24)17-26(38)32(42-34)35(30)44-43-33/h4-9,16-18,24-25,36,38H,10-15H2,1-3H3/t24?,25-/m0/s1
MOLECULAR FORMULA
C35H34N2O7
CROSS REFERENCES
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Gilletine

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 594.24
AlogP 6.93
HBond donors 2
HBond acceptors 9
Atoms 78
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Gilletine.