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canSAR1063614
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NAMES
    SMILES
    Cc1ccnc(SCc2cc(=O)c(OCc3ccc(Cl)c([N+](=O)[O-])c3)co2)n1
    InChI
    InChI=1S/C18H14ClN3O5S/c1-11-4-5-20-18(21-11)28-10-13-7-16(23)17(9-26-13)27-8-12-2-3-14(19)15(6-12)22(24)25/h2-7,9H,8,10H2,1H3
    MOLECULAR FORMULA
    C18H14ClN3O5S
    CROSS REFERENCES
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    canSAR1063614

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 419.03
    AlogP 4.17
    HBond donors 0
    HBond acceptors 8
    Atoms 42
    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 canSAR1063614.