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canSAR1723079
FEATURES
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NAMES
    SMILES
    CCOC(=O)[C@]12CCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)N1CCSCC1)C2
    InChI
    InChI=1S/C23H30N2O5S/c1-2-29-22(28)23-8-4-3-7-19(23)25(16-18-6-5-11-30-18)21(27)17(15-23)14-20(26)24-9-12-31-13-10-24/h5-7,11,17H,2-4,8-10,12-16H2,1H3/t17-,23+/m1/s1
    MOLECULAR FORMULA
    C23H30N2O5S
    CROSS REFERENCES
    1723079 logo

    canSAR1723079

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 446.19
    AlogP 3.21
    HBond donors 0
    HBond acceptors 7
    Atoms 61
    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 canSAR1723079.