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canSAR668900
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NAMES
    SMILES
    CN(C)NC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(Cc5ccccc5)CC4)c3n2)cc1
    InChI
    InChI=1S/C30H37N9O2/c1-36(2)35-30(40)32-24-10-8-23(9-11-24)27-33-28(38-16-18-41-19-17-38)26-20-31-39(29(26)34-27)25-12-14-37(15-13-25)21-22-6-4-3-5-7-22/h3-11,20,25H,12-19,21H2,1-2H3,(H2,32,35,40)
    MOLECULAR FORMULA
    C30H37N9O2
    CROSS REFERENCES
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    canSAR668900

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 555.31
    AlogP 3.77
    HBond donors 2
    HBond acceptors 11
    Atoms 78
    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 canSAR668900.