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canSAR1132965
FEATURES
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NAMES
    SMILES
    CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(cc(C)c2O1)OCN(CCO)C3
    InChI
    InChI=1S/C31H47NO3/c1-23(2)10-7-11-24(3)12-8-13-25(4)14-9-16-31(6)17-15-27-28-21-32(18-19-33)22-34-29(28)20-26(5)30(27)35-31/h10,12,14,20,33H,7-9,11,13,15-19,21-22H2,1-6H3/b24-12+,25-14+/t31-/m1/s1
    MOLECULAR FORMULA
    C31H47NO3
    CROSS REFERENCES
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    canSAR1132965

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 481.36
    AlogP 7.42
    HBond donors 1
    HBond acceptors 4
    Atoms 82
    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 canSAR1132965.