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canSAR1125831
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NAMES
    SMILES
    CC(C)CCNc1ccc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)cn1
    InChI
    InChI=1S/C22H31N7/c1-16(2)8-11-23-20-5-4-17(14-24-20)19-15-25-22-7-6-21(27-29(19)22)26-18-9-12-28(3)13-10-18/h4-7,14-16,18H,8-13H2,1-3H3,(H,23,24)(H,26,27)
    MOLECULAR FORMULA
    C22H31N7
    CROSS REFERENCES
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    canSAR1125831

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 393.26
    AlogP 3.76
    HBond donors 2
    HBond acceptors 7
    Atoms 60
    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 canSAR1125831.