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canSAR744527
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NAMES
    SMILES
    CC/N=c1/cc2oc3cc(NCCCC(=O)OCC)c4cc5ccccc5cc4c3nc-2cc1C.Cl
    InChI
    InChI=1S/C29H29N3O3.ClH/c1-4-30-23-16-26-25(13-18(23)3)32-29-22-15-20-10-7-6-9-19(20)14-21(22)24(17-27(29)35-26)31-12-8-11-28(33)34-5-2;/h6-7,9-10,13-17,31H,4-5,8,11-12H2,1-3H3;1H/b30-23-;
    MOLECULAR FORMULA
    C29H30ClN3O3
    CROSS REFERENCES
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    canSAR744527

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 503.20
    AlogP 6.65
    HBond donors 1
    HBond acceptors 6
    Atoms 66
    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 canSAR744527.