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canSAR1119013
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NAMES
    SMILES
    COc1cc(-c2ccc(C)n2-c2ccc(-c3nc4ccc(F)cc4s3)cc2)cc(OC)c1OC
    InChI
    InChI=1S/C27H23FN2O3S/c1-16-5-12-22(18-13-23(31-2)26(33-4)24(14-18)32-3)30(16)20-9-6-17(7-10-20)27-29-21-11-8-19(28)15-25(21)34-27/h5-15H,1-4H3
    MOLECULAR FORMULA
    C27H23FN2O3S
    CROSS REFERENCES
    1119013 logo

    canSAR1119013

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 474.14
    AlogP 6.89
    HBond donors 0
    HBond acceptors 5
    Atoms 57
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1119013.