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canSAR1998638
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NAMES
    SMILES
    C=CCSc1nnc2n(CCc3ccccc3)c(=O)c3c4c(sc3n12)COC(C)(C)C4
    InChI
    InChI=1S/C23H24N4O2S2/c1-4-12-30-22-25-24-21-26(11-10-15-8-6-5-7-9-15)19(28)18-16-13-23(2,3)29-14-17(16)31-20(18)27(21)22/h4-9H,1,10-14H2,2-3H3
    MOLECULAR FORMULA
    C23H24N4O2S2
    CROSS REFERENCES
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    canSAR1998638

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 452.13
    AlogP 4.48
    HBond donors 0
    HBond acceptors 6
    Atoms 55
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1998638.