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canSAR1064519
FEATURES
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NAMES
    SMILES
    COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(CCSc4ccc[se]4)C[C@@H]3C(=O)O)c2c1
    InChI
    InChI=1S/C25H30N2O4SSe/c1-31-18-5-6-22-20(15-18)19(8-10-26-22)23(28)7-4-17-9-11-27(16-21(17)25(29)30)12-13-32-24-3-2-14-33-24/h2-3,5-6,8,10,14-15,17,21,23,28H,4,7,9,11-13,16H2,1H3,(H,29,30)/t17-,21+,23+/m1/s1
    MOLECULAR FORMULA
    C25H30N2O4SSe
    CROSS REFERENCES
    1064519 logo

    canSAR1064519

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 534.11
    AlogP 3.93
    HBond donors 2
    HBond acceptors 6
    Atoms 63
    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 canSAR1064519.