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canSAR651489
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NAMES
    SMILES
    OCc1cccc(-c2nc(N3CCOCC3)c3ncn(C4CCN(Cc5ccc(-c6ccncc6)cc5)CC4)c3n2)c1
    InChI
    InChI=1S/C33H35N7O2/c41-22-25-2-1-3-28(20-25)31-36-32(39-16-18-42-19-17-39)30-33(37-31)40(23-35-30)29-10-14-38(15-11-29)21-24-4-6-26(7-5-24)27-8-12-34-13-9-27/h1-9,12-13,20,23,29,41H,10-11,14-19,21-22H2
    MOLECULAR FORMULA
    C33H35N7O2
    CROSS REFERENCES
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    canSAR651489

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 561.29
    AlogP 4.72
    HBond donors 1
    HBond acceptors 9
    Atoms 77
    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 canSAR651489.