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canSAR1068545
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NAMES
    SMILES
    CC[C@@](O)(Cn1nncc1CCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1
    InChI
    InChI=1S/C23H29N5O5/c1-2-23(31,18-4-3-5-20(12-18)33-14-17-6-7-17)15-28-19(13-24-26-28)9-11-32-16-27-10-8-21(29)25-22(27)30/h3-5,8,10,12-13,17,31H,2,6-7,9,11,14-16H2,1H3,(H,25,29,30)/t23-/m1/s1
    MOLECULAR FORMULA
    C23H29N5O5
    CROSS REFERENCES
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    canSAR1068545

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 455.22
    AlogP 1.43
    HBond donors 2
    HBond acceptors 10
    Atoms 62
    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 canSAR1068545.