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canSAR2002973
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NAMES
    SMILES
    COc1cc2nc(N3CCCC3)nc(NCC[C@H]3CC[C@@H](N)CC3)c2cc1OC
    InChI
    InChI=1S/C22H33N5O2/c1-28-19-13-17-18(14-20(19)29-2)25-22(27-11-3-4-12-27)26-21(17)24-10-9-15-5-7-16(23)8-6-15/h13-16H,3-12,23H2,1-2H3,(H,24,25,26)/t15-,16+
    MOLECULAR FORMULA
    C22H33N5O2
    CROSS REFERENCES
    2002973 logo

    canSAR2002973

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 399.26
    AlogP 3.57
    HBond donors 3
    HBond acceptors 7
    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 canSAR2002973.