canSAR2096443
FEATURES
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NAMES
    SMILES
    O=c1cc(-c2ccccc2OCc2ccc(-c3cnn(CC4CC4)c3)cc2)ccn1[C@H]1CCCC[C@@H]1O
    InChI
    InChI=1S/C31H33N3O3/c35-29-7-3-2-6-28(29)34-16-15-25(17-31(34)36)27-5-1-4-8-30(27)37-21-23-11-13-24(14-12-23)26-18-32-33(20-26)19-22-9-10-22/h1,4-5,8,11-18,20,22,28-29,35H,2-3,6-7,9-10,19,21H2/t28-,29-/m0/s1
    MOLECULAR FORMULA
    C31H33N3O3
    CROSS REFERENCES
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    canSAR2096443
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight495.25
    AlogP5.84
    HBond donors1
    HBond acceptors6
    Atoms70
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096443.