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canSAR744864
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NAMES
    SMILES
    COc1ccc2c(c1)c1c3ccc(NCCN4CCC(C5CCN(CCNc6ccc7c(ccc8c7c7cc(OC)ccc7n8C)c6)CC5)CC4)cc3ccc1n2C
    InChI
    InChI=1S/C50H56N6O2/c1-53-45-15-9-39(57-3)31-43(45)49-41-11-7-37(29-35(41)5-13-47(49)53)51-21-27-55-23-17-33(18-24-55)34-19-25-56(26-20-34)28-22-52-38-8-12-42-36(30-38)6-14-48-50(42)44-32-40(58-4)10-16-46(44)54(48)2/h5-16,29-34,51-52H,17-28H2,1-4H3
    MOLECULAR FORMULA
    C50H56N6O2
    CROSS REFERENCES
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    canSAR744864

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 772.45
    AlogP 10.25
    HBond donors 2
    HBond acceptors 8
    Atoms 114
    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 canSAR744864.