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canSAR1619442
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NAMES
    SMILES
    Cc1c(O)n(-c2ccccc2)c(SCC(=O)Nc2ccc3c4c(cccc24)CC3)nc1=O
    InChI
    InChI=1S/C25H21N3O3S/c1-15-23(30)27-25(28(24(15)31)18-7-3-2-4-8-18)32-14-21(29)26-20-13-12-17-11-10-16-6-5-9-19(20)22(16)17/h2-9,12-13,31H,10-11,14H2,1H3,(H,26,29)
    MOLECULAR FORMULA
    C25H21N3O3S
    CROSS REFERENCES
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    canSAR1619442

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 443.13
    AlogP 4.23
    HBond donors 2
    HBond acceptors 6
    Atoms 53
    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 canSAR1619442.