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canSAR1591722
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NAMES
    SMILES
    Cc1nc(N)nc2c1cc(-c1cccc(Cl)n1)c(=O)n2C1CCCC1
    InChI
    InChI=1S/C18H18ClN5O/c1-10-12-9-13(14-7-4-8-15(19)22-14)17(25)24(11-5-2-3-6-11)16(12)23-18(20)21-10/h4,7-9,11H,2-3,5-6H2,1H3,(H2,20,21,23)
    MOLECULAR FORMULA
    C18H18ClN5O
    CROSS REFERENCES
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    canSAR1591722

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 355.12
    AlogP 3.51
    HBond donors 2
    HBond acceptors 6
    Atoms 43
    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 canSAR1591722.