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canSAR1987099
FEATURES
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NAMES
    SMILES
    OC[C@@H]1CN(Cc2ccc(-c3ccccc3)cc2)C[C@H](n2cnc3c(NC4CCCC4)ncnc32)O1
    InChI
    InChI=1S/C28H32N6O2/c35-17-24-15-33(14-20-10-12-22(13-11-20)21-6-2-1-3-7-21)16-25(36-24)34-19-31-26-27(29-18-30-28(26)34)32-23-8-4-5-9-23/h1-3,6-7,10-13,18-19,23-25,35H,4-5,8-9,14-17H2,(H,29,30,32)/t24-,25+/m0/s1
    MOLECULAR FORMULA
    C28H32N6O2
    CROSS REFERENCES
    1987099 logo

    canSAR1987099

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 484.26
    AlogP 4.24
    HBond donors 2
    HBond acceptors 8
    Atoms 68
    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 canSAR1987099.