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canSAR1636999
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NAMES
    SMILES
    Cn1cc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c(C(=O)NCC2CCCO2)n1
    InChI
    InChI=1S/C22H25N9O3/c1-31-11-17(18(30-31)21(32)26-9-15-3-2-6-34-15)29-22(33)19-20(27-14-7-23-12-24-8-14)25-10-16(28-19)13-4-5-13/h7-8,10-13,15H,2-6,9H2,1H3,(H,25,27)(H,26,32)(H,29,33)
    MOLECULAR FORMULA
    C22H25N9O3
    CROSS REFERENCES
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    canSAR1636999

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 463.21
    AlogP 1.78
    HBond donors 3
    HBond acceptors 12
    Atoms 59
    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 canSAR1636999.