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canSAR198917
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NAMES
    SMILES
    COc1cc(Cn2c(-c3ccc(OCCN4CCCC4)cc3)nc3cc(O)ccc32)ccc1Cn1ccnn1
    InChI
    InChI=1S/C30H32N6O3/c1-38-29-18-22(4-5-24(29)21-35-15-12-31-33-35)20-36-28-11-8-25(37)19-27(28)32-30(36)23-6-9-26(10-7-23)39-17-16-34-13-2-3-14-34/h4-12,15,18-19,37H,2-3,13-14,16-17,20-21H2,1H3
    MOLECULAR FORMULA
    C30H32N6O3
    CROSS REFERENCES
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    canSAR198917

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 524.25
    AlogP 4.58
    HBond donors 1
    HBond acceptors 9
    Atoms 71
    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 canSAR198917.