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canSAR1114071
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NAMES
    SMILES
    O=C(O)c1ccc(-n2c(/C=C/c3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1
    InChI
    InChI=1S/C25H20N2O3S/c28-24-22-19-8-4-5-9-20(19)31-23(22)26-21(15-10-16-6-2-1-3-7-16)27(24)18-13-11-17(12-14-18)25(29)30/h1-3,6-7,10-15H,4-5,8-9H2,(H,29,30)/b15-10+
    MOLECULAR FORMULA
    C25H20N2O3S
    CROSS REFERENCES
    1114071 logo

    canSAR1114071

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 428.12
    AlogP 5.19
    HBond donors 1
    HBond acceptors 5
    Atoms 51
    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 canSAR1114071.