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canSAR1133069
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NAMES
    SMILES
    O=C(CCc1ccccc1)c1cccc(OC[C@H](O)CNCCC(c2ccccc2)c2ccccc2)c1
    InChI
    InChI=1S/C33H35NO3/c35-30(24-34-22-21-32(27-13-6-2-7-14-27)28-15-8-3-9-16-28)25-37-31-18-10-17-29(23-31)33(36)20-19-26-11-4-1-5-12-26/h1-18,23,30,32,34-35H,19-22,24-25H2/t30-/m1/s1
    MOLECULAR FORMULA
    C33H35NO3
    CROSS REFERENCES
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    canSAR1133069

    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 canSAR1133069.