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canSAR1651121
FEATURES
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NAMES
    SMILES
    N#Cc1cc(-c2ccnc(Nc3ccc(CO)cn3)c2)ccc1OC1CCOCC1
    InChI
    InChI=1S/C23H22N4O3/c24-13-19-11-17(2-3-21(19)30-20-6-9-29-10-7-20)18-5-8-25-23(12-18)27-22-4-1-16(15-28)14-26-22/h1-5,8,11-12,14,20,28H,6-7,9-10,15H2,(H,25,26,27)
    MOLECULAR FORMULA
    C23H22N4O3
    CROSS REFERENCES
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    canSAR1651121

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 402.17
    AlogP 3.81
    HBond donors 2
    HBond acceptors 7
    Atoms 52
    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 canSAR1651121.