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canSAR1132333
FEATURES
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NAMES
    SMILES
    CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(c(C)c(C)c2O1)OCN(CC1CCNCC1)C3
    InChI
    InChI=1S/C36H56N2O2/c1-26(2)11-8-12-27(3)13-9-14-28(4)15-10-19-36(7)20-16-32-33-24-38(23-31-17-21-37-22-18-31)25-39-34(33)29(5)30(6)35(32)40-36/h11,13,15,31,37H,8-10,12,14,16-25H2,1-7H3/b27-13+,28-15+/t36-/m1/s1
    MOLECULAR FORMULA
    C36H56N2O2
    CROSS REFERENCES
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    canSAR1132333

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 548.43
    AlogP 8.74
    HBond donors 1
    HBond acceptors 4
    Atoms 96
    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 canSAR1132333.