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canSAR1128359
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NAMES
    SMILES
    COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC2(CSC2)C1
    InChI
    InChI=1S/C23H24ClFN4O2S/c1-30-20-9-19-16(22(27-14-26-19)28-15-3-4-18(25)17(24)7-15)8-21(20)31-6-2-5-29-10-23(11-29)12-32-13-23/h3-4,7-9,14H,2,5-6,10-13H2,1H3,(H,26,27,28)
    MOLECULAR FORMULA
    C23H24ClFN4O2S
    CROSS REFERENCES
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    canSAR1128359

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 474.13
    AlogP 4.99
    HBond donors 1
    HBond acceptors 6
    Atoms 56
    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 canSAR1128359.