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canSAR2048461
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NAMES
    SMILES
    Nc1ncnc2c1c(-c1cccc(OCC3CCCC3)c1)cn2[C@H]1C[C@@H](CN2CCC2)C1
    InChI
    InChI=1S/C26H33N5O/c27-25-24-23(20-7-3-8-22(13-20)32-16-18-5-1-2-6-18)15-31(26(24)29-17-28-25)21-11-19(12-21)14-30-9-4-10-30/h3,7-8,13,15,17-19,21H,1-2,4-6,9-12,14,16H2,(H2,27,28,29)/t19-,21+
    MOLECULAR FORMULA
    C26H33N5O
    CROSS REFERENCES
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    canSAR2048461

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 431.27
    AlogP 4.91
    HBond donors 2
    HBond acceptors 6
    Atoms 65
    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 canSAR2048461.