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canSAR2048597
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NAMES
    SMILES
    COC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(C5CCNCC5)n4)cc32)c1C.Cl
    InChI
    InChI=1S/C25H26N4O3S.ClH/c1-13-20(27-14(2)22(13)25(31)32-3)11-18-17-10-16(4-5-19(17)28-23(18)30)21-12-33-24(29-21)15-6-8-26-9-7-15;/h4-5,10-12,15,26-27H,6-9H2,1-3H3,(H,28,30);1H/b18-11-;
    MOLECULAR FORMULA
    C25H27ClN4O3S
    CROSS REFERENCES
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    canSAR2048597

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 498.15
    AlogP 4.92
    HBond donors 3
    HBond acceptors 7
    Atoms 61
    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 canSAR2048597.