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canSAR467622
FEATURES
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NAMES
    SMILES
    O=C(O)Cc1cccc(-c2cc(CCCCN3CCN(CCCCc4ccc(OC5OC(CO)C(O)C(O)C5O)c(-c5cccc(CC(=O)O)c5)c4)CC3)ccc2OC2OC(CO)C(O)C(O)C2O)c1
    InChI
    InChI=1S/C52H66N2O16/c55-29-41-45(61)47(63)49(65)51(69-41)67-39-15-13-31(25-37(39)35-11-5-9-33(23-35)27-43(57)58)7-1-3-17-53-19-21-54(22-20-53)18-4-2-8-32-14-16-40(68-52-50(66)48(64)46(62)42(30-56)70-52)38(26-32)36-12-6-10-34(24-36)28-44(59)60/h5-6,9-16,23-26,41-42,45-52,55-56,61-66H,1-4,7-8,17-22,27-30H2,(H,57,58)(H,59,60)
    MOLECULAR FORMULA
    C52H66N2O16
    CROSS REFERENCES
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    canSAR467622

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 974.44
    AlogP 1.60
    HBond donors 10
    HBond acceptors 18
    Atoms 136
    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 canSAR467622.