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canSAR1533115
FEATURES
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NAMES
    SMILES
    O=C(NCC1(N2CCOCC2)CCCC1)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1
    InChI
    InChI=1S/C25H30N6O3/c32-23(27-17-25(8-1-2-9-25)30-11-14-33-15-12-30)19-16-28-31(22(19)18-5-6-18)24-26-10-7-20(29-24)21-4-3-13-34-21/h3-4,7,10,13,16,18H,1-2,5-6,8-9,11-12,14-15,17H2,(H,27,32)
    MOLECULAR FORMULA
    C25H30N6O3
    CROSS REFERENCES
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    canSAR1533115

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 462.24
    AlogP 3.17
    HBond donors 1
    HBond acceptors 9
    Atoms 64
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1533115.