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canSAR669004
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NAMES
    SMILES
    COc1cc2c(N3CCN(c4ccccc4)CC3)nc3c(S(=O)(=O)c4ccc(C)cc4)nnn3c2cc1OC
    InChI
    InChI=1S/C28H28N6O4S/c1-19-9-11-21(12-10-19)39(35,36)28-27-29-26(33-15-13-32(14-16-33)20-7-5-4-6-8-20)22-17-24(37-2)25(38-3)18-23(22)34(27)31-30-28/h4-12,17-18H,13-16H2,1-3H3
    MOLECULAR FORMULA
    C28H28N6O4S
    CROSS REFERENCES
    669004 logo

    canSAR669004

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 544.19
    AlogP 3.76
    HBond donors 0
    HBond acceptors 10
    Atoms 67
    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 canSAR669004.