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canSAR1401072
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NAMES
    SMILES
    Clc1ccc(CC(Cn2ccnc2)c2c(Cl)cccc2Cl)cc1.O=[N+]([O-])O
    InChI
    InChI=1S/C18H15Cl3N2.HNO3/c19-15-6-4-13(5-7-15)10-14(11-23-9-8-22-12-23)18-16(20)2-1-3-17(18)21;2-1(3)4/h1-9,12,14H,10-11H2;(H,2,3,4)
    MOLECULAR FORMULA
    C18H16Cl3N3O3
    CROSS REFERENCES
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    canSAR1401072

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.03
    AlogP 5.52
    HBond donors 1
    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 canSAR1401072.