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canSAR1099912
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NAMES
    SMILES
    O=Cc1ccc(-c2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2)cc1
    InChI
    InChI=1S/C26H24N4O2S/c31-17-19-7-9-20(10-8-19)21-11-13-23(14-12-21)32-18-25-28-29-26(33-24-5-1-2-6-24)30(25)22-4-3-15-27-16-22/h3-4,7-17,24H,1-2,5-6,18H2
    MOLECULAR FORMULA
    C26H24N4O2S
    CROSS REFERENCES
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    canSAR1099912

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 456.16
    AlogP 5.76
    HBond donors 0
    HBond acceptors 6
    Atoms 57
    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 canSAR1099912.