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canSAR649498
FEATURES
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NAMES
    SMILES
    CN(C)CCCNC(=O)c1nc(NC(=O)c2nc(NC(=O)c3nc(NC(=O)CCNC(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6ccc(O)cc56)c(C(=O)O)c4)cn3C)cn2C)cn1C
    InChI
    InChI=1S/C44H45N13O9S/c1-54(2)16-6-14-45-40(61)37-50-33(21-55(37)3)52-42(63)39-51-34(22-57(39)5)53-41(62)38-49-32(20-56(38)4)48-35(60)13-15-46-44(67)47-23-7-10-26(28(17-23)43(64)65)36-27-11-8-25(59)19-31(27)66-30-12-9-24(58)18-29(30)36/h7-12,17-22,58H,6,13-16H2,1-5H3,(H,45,61)(H,48,60)(H,52,63)(H,53,62)(H,64,65)(H2,46,47,67)
    MOLECULAR FORMULA
    C44H45N13O9S
    CROSS REFERENCES
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    canSAR649498

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 931.32
    AlogP 3.67
    HBond donors 8
    HBond acceptors 22
    Atoms 112
    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 canSAR649498.