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canSAR1971762
FEATURES
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NAMES
    SMILES
    CCN(c1cc(-c2ccc(CN3CCCN(C)CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
    InChI
    InChI=1S/C36H49N5O3/c1-6-41(31-12-18-44-19-13-31)34-22-30(29-10-8-28(9-11-29)24-40-15-7-14-39(5)16-17-40)21-32(27(34)4)35(42)37-23-33-25(2)20-26(3)38-36(33)43/h8-11,20-22,31H,6-7,12-19,23-24H2,1-5H3,(H,37,42)(H,38,43)
    MOLECULAR FORMULA
    C36H49N5O3
    CROSS REFERENCES
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    canSAR1971762

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 599.38
    AlogP 5.04
    HBond donors 2
    HBond acceptors 8
    Atoms 93
    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 canSAR1971762.