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canSAR551941
FEATURES
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NAMES
    SMILES
    CNC(=O)c1ccc(/C=C/C(=O)NCc2cccn2-c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1.Cl
    InChI
    InChI=1S/C33H28Cl2N4O3.ClH/c1-21-8-12-23-5-3-7-29(32(23)38-21)42-20-26-27(34)15-16-28(31(26)35)39-18-4-6-25(39)19-37-30(40)17-11-22-9-13-24(14-10-22)33(41)36-2;/h3-18H,19-20H2,1-2H3,(H,36,41)(H,37,40);1H/b17-11+;
    MOLECULAR FORMULA
    C33H29Cl3N4O3
    CROSS REFERENCES
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    canSAR551941

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 634.13
    AlogP 7.33
    HBond donors 2
    HBond acceptors 7
    Atoms 72
    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 canSAR551941.