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canSAR741404
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NAMES
    SMILES
    COc1ccc2c(c1)c1c3cc(NCCN4CCC(C5CCN(CCNc6ccc7cc(C)c8c(c7c6)c6cc(OC)ccc6n8C)CC5)CC4)ccc3cc(C)c1n2C
    InChI
    InChI=1S/C52H60N6O2/c1-33-27-37-7-9-39(29-43(37)49-45-31-41(59-5)11-13-47(45)55(3)51(33)49)53-19-25-57-21-15-35(16-22-57)36-17-23-58(24-18-36)26-20-54-40-10-8-38-28-34(2)52-50(44(38)30-40)46-32-42(60-6)12-14-48(46)56(52)4/h7-14,27-32,35-36,53-54H,15-26H2,1-6H3
    MOLECULAR FORMULA
    C52H60N6O2
    CROSS REFERENCES
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    canSAR741404

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 800.48
    AlogP 10.86
    HBond donors 2
    HBond acceptors 8
    Atoms 120
    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 canSAR741404.