canSAR2079826
FEATURES
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NAMES
    SMILES
    CC(=O)NC1CCN(c2nc(N3CCC(COCCN4CCOCC4)CC3)c3c(-c4ccccc4)csc3n2)C1
    InChI
    InChI=1S/C30H40N6O3S/c1-22(37)31-25-9-12-36(19-25)30-32-28(27-26(21-40-29(27)33-30)24-5-3-2-4-6-24)35-10-7-23(8-11-35)20-39-18-15-34-13-16-38-17-14-34/h2-6,21,23,25H,7-20H2,1H3,(H,31,37)
    MOLECULAR FORMULA
    C30H40N6O3S
    CROSS REFERENCES
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    canSAR2079826
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight564.29
    AlogP3.64
    HBond donors1
    HBond acceptors9
    Atoms80
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2079826.