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canSAR1955642
FEATURES
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NAMES
    SMILES
    CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCN(S(C)(=O)=O)CC1
    InChI
    InChI=1S/C35H47N5O5S/c1-6-40(30-11-13-39(14-12-30)46(5,43)44)33-21-29(28-9-7-27(8-10-28)23-38-15-17-45-18-16-38)20-31(26(33)4)34(41)36-22-32-24(2)19-25(3)37-35(32)42/h7-10,19-21,30H,6,11-18,22-23H2,1-5H3,(H,36,41)(H,37,42)
    MOLECULAR FORMULA
    C35H47N5O5S
    CROSS REFERENCES
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    canSAR1955642

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 649.33
    AlogP 3.98
    HBond donors 2
    HBond acceptors 10
    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 canSAR1955642.