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canSAR1121373
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NAMES
    SMILES
    O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CNCCC(c1ccccc1)c1ccccc1
    InChI
    InChI=1S/C33H35NO3/c35-29(24-34-23-22-30(27-14-6-2-7-15-27)28-16-8-3-9-17-28)25-37-33-19-11-10-18-31(33)32(36)21-20-26-12-4-1-5-13-26/h1-19,29-30,34-35H,20-25H2/t29-/m1/s1
    MOLECULAR FORMULA
    C33H35NO3
    CROSS REFERENCES
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    canSAR1121373

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 493.26
    AlogP 6.05
    HBond donors 2
    HBond acceptors 4
    Atoms 72
    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 canSAR1121373.