canSAR1001531
FEATURES
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NAMES
    SMILES
    CCN(CCO)CCCOc1cc2ncnc(Nc3ccc4sc(C(=O)Nc5c(C)cccc5Cl)cc4c3)c2cc1OC
    InChI
    InChI=1S/C32H34ClN5O4S/c1-4-38(12-13-39)11-6-14-42-27-18-25-23(17-26(27)41-3)31(35-19-34-25)36-22-9-10-28-21(15-22)16-29(43-28)32(40)37-30-20(2)7-5-8-24(30)33/h5,7-10,15-19,39H,4,6,11-14H2,1-3H3,(H,37,40)(H,34,35,36)
    MOLECULAR FORMULA
    C32H34ClN5O4S
    CROSS REFERENCES
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    canSAR1001531
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight619.20
    AlogP6.89
    HBond donors3
    HBond acceptors9
    Atoms77
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1001531.