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canSAR1119049
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NAMES
    SMILES
    Cc1ccc(-c2ccc(C)n2-c2ccc(-c3nc4ccccc4s3)cc2)cc1
    InChI
    InChI=1S/C25H20N2S/c1-17-7-10-19(11-8-17)23-16-9-18(2)27(23)21-14-12-20(13-15-21)25-26-22-5-3-4-6-24(22)28-25/h3-16H,1-2H3
    MOLECULAR FORMULA
    C25H20N2S
    CROSS REFERENCES
    1119049 logo

    canSAR1119049

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 380.13
    AlogP 7.04
    HBond donors 0
    HBond acceptors 2
    Atoms 48
    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 canSAR1119049.