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canSAR2048166
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NAMES
    SMILES
    O=C(CCCCCc1cn(-c2ccccc2-c2ccccc2)nn1)NCCc1cccnc1
    InChI
    InChI=1S/C27H29N5O/c33-27(29-19-17-22-10-9-18-28-20-22)16-6-2-5-13-24-21-32(31-30-24)26-15-8-7-14-25(26)23-11-3-1-4-12-23/h1,3-4,7-12,14-15,18,20-21H,2,5-6,13,16-17,19H2,(H,29,33)
    MOLECULAR FORMULA
    C27H29N5O
    CROSS REFERENCES
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    canSAR2048166

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 439.24
    AlogP 4.79
    HBond donors 1
    HBond acceptors 6
    Atoms 62
    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 canSAR2048166.