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canSAR112715
FEATURES
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NAMES
    SMILES
    N#CN/C(=N\CCCNC(=O)CCc1ccccc1)NCCCOc1cccc(CN2CCCCC2)c1
    InChI
    InChI=1S/C29H40N6O2/c30-24-34-29(32-17-8-16-31-28(36)15-14-25-10-3-1-4-11-25)33-18-9-21-37-27-13-7-12-26(22-27)23-35-19-5-2-6-20-35/h1,3-4,7,10-13,22H,2,5-6,8-9,14-21,23H2,(H,31,36)(H2,32,33,34)
    MOLECULAR FORMULA
    C29H40N6O2
    CROSS REFERENCES
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    canSAR112715

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 504.32
    AlogP 3.60
    HBond donors 3
    HBond acceptors 8
    Atoms 77
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR112715.