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canSAR1427968
FEATURES
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NAMES
    SMILES
    CCOC(=O)C1(NC(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)CC1
    InChI
    InChI=1S/C25H24N2O5S/c1-2-30-23(29)25(12-13-25)27-22(28)21-15-26-24(33-21)31-18-9-11-20-17(14-18)8-10-19(32-20)16-6-4-3-5-7-16/h3-7,9,11,14-15,19H,2,8,10,12-13H2,1H3,(H,27,28)/t19-/m0/s1
    MOLECULAR FORMULA
    C25H24N2O5S
    CROSS REFERENCES
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    canSAR1427968

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 464.14
    AlogP 4.83
    HBond donors 1
    HBond acceptors 7
    Atoms 57
    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 canSAR1427968.