canSAR2147136
FEATURES
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NAMES
    SMILES
    CCNC(=O)c1ccc(-n2cnc3c(NCC4CCOCC4)cc(Oc4ccc(OC)cc4SC)cc32)cc1C
    InChI
    InChI=1S/C31H36N4O4S/c1-5-32-31(36)25-8-6-22(14-20(25)2)35-19-34-30-26(33-18-21-10-12-38-13-11-21)15-24(16-27(30)35)39-28-9-7-23(37-3)17-29(28)40-4/h6-9,14-17,19,21,33H,5,10-13,18H2,1-4H3,(H,32,36)
    MOLECULAR FORMULA
    C31H36N4O4S
    CROSS REFERENCES
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    canSAR2147136
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight560.25
    AlogP6.44
    HBond donors2
    HBond acceptors8
    Atoms76
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2147136.