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canSAR2052056
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NAMES
    SMILES
    Clc1cn(-c2ccc3c(c2)CCc2cn(Cc4ccccc4)nc2N3)cn1
    InChI
    InChI=1S/C21H18ClN5/c22-20-13-26(14-23-20)18-8-9-19-16(10-18)6-7-17-12-27(25-21(17)24-19)11-15-4-2-1-3-5-15/h1-5,8-10,12-14H,6-7,11H2,(H,24,25)
    MOLECULAR FORMULA
    C21H18ClN5
    CROSS REFERENCES
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    canSAR2052056

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 375.13
    AlogP 4.61
    HBond donors 1
    HBond acceptors 5
    Atoms 45
    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 canSAR2052056.