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canSAR672381
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NAMES
    SMILES
    CCn1cc(-c2ccnc3[nH]c(-c4ccc(CN(C)C)cc4C)cc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1
    InChI
    InChI=1S/C35H35N7O/c1-5-42-22-31(33(40-42)25-12-14-27(15-13-25)38-35(43)37-26-9-7-6-8-10-26)29-17-18-36-34-30(29)20-32(39-34)28-16-11-24(19-23(28)2)21-41(3)4/h6-20,22H,5,21H2,1-4H3,(H,36,39)(H2,37,38,43)
    MOLECULAR FORMULA
    C35H35N7O
    CROSS REFERENCES
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    canSAR672381

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 569.29
    AlogP 7.79
    HBond donors 3
    HBond acceptors 8
    Atoms 78
    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 canSAR672381.