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canSAR1066666
FEATURES
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NAMES
    SMILES
    CCCN(CCCCCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1
    InChI
    InChI=1S/C36H56N2O2/c1-3-23-37(31-19-21-33-29(27-31)15-13-17-35(33)39)25-11-9-7-5-6-8-10-12-26-38(24-4-2)32-20-22-34-30(28-32)16-14-18-36(34)40/h13-18,31-32,39-40H,3-12,19-28H2,1-2H3/t31-,32-/m0/s1
    MOLECULAR FORMULA
    C36H56N2O2
    CROSS REFERENCES
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    canSAR1066666

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 548.43
    AlogP 8.06
    HBond donors 2
    HBond acceptors 4
    Atoms 96
    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 canSAR1066666.