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canSAR1635587
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NAMES
    SMILES
    [C-]#[N+]c1ccc(-c2nnc([C@@H](CCO)Nc3ccc([N+]#[C-])c(Cl)c3C)o2)cc1
    InChI
    InChI=1S/C20H16ClN5O2/c1-12-15(8-9-16(23-3)18(12)21)24-17(10-11-27)20-26-25-19(28-20)13-4-6-14(22-2)7-5-13/h4-9,17,24,27H,10-11H2,1H3/t17-/m1/s1
    MOLECULAR FORMULA
    C20H16ClN5O2
    CROSS REFERENCES
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    canSAR1635587

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 393.10
    AlogP 5.34
    HBond donors 2
    HBond acceptors 7
    Atoms 44
    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 canSAR1635587.