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canSAR1062787
FEATURES
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NAMES
    SMILES
    COc1ccc2nccc(C(O)CC[C@@H]3CCN(CCSc4ccc(C(=O)O)[se]4)C[C@@H]3C(=O)O)c2c1
    InChI
    InChI=1S/C26H30N2O6SSe/c1-34-17-3-4-21-19(14-17)18(8-10-27-21)22(29)5-2-16-9-11-28(15-20(16)25(30)31)12-13-35-24-7-6-23(36-24)26(32)33/h3-4,6-8,10,14,16,20,22,29H,2,5,9,11-13,15H2,1H3,(H,30,31)(H,32,33)/t16-,20+,22?/m1/s1
    MOLECULAR FORMULA
    C26H30N2O6SSe
    CROSS REFERENCES
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    canSAR1062787

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 578.10
    AlogP 3.63
    HBond donors 3
    HBond acceptors 8
    Atoms 66
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1062787.