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canSAR670711
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NAMES
    SMILES
    CCCCN(CCCC)CN1C(=O)/C(=N\c2ncc(Cc3cc(OC)c(OC)c(OC)c3)c(N)n2)c2cc(Cl)ccc21
    InChI
    InChI=1S/C31H39ClN6O4/c1-6-8-12-37(13-9-7-2)19-38-24-11-10-22(32)17-23(24)27(30(38)39)35-31-34-18-21(29(33)36-31)14-20-15-25(40-3)28(42-5)26(16-20)41-4/h10-11,15-18H,6-9,12-14,19H2,1-5H3,(H2,33,34,36)/b35-27-
    MOLECULAR FORMULA
    C31H39ClN6O4
    CROSS REFERENCES
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    canSAR670711

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 594.27
    AlogP 5.66
    HBond donors 2
    HBond acceptors 10
    Atoms 81
    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 canSAR670711.