canSAR739362
FEATURES
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NAMES
    SMILES
    NCCCNCCCCNCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1
    InChI
    InChI=1S/C31H37N5O5S/c32-11-3-14-33-12-1-2-13-34-15-4-16-35-31(42)36-20-5-8-23(26(17-20)30(39)40)29-24-9-6-21(37)18-27(24)41-28-19-22(38)7-10-25(28)29/h5-10,17-19,33-34,37H,1-4,11-16,32H2,(H,39,40)(H2,35,36,42)
    MOLECULAR FORMULA
    C31H37N5O5S
    CROSS REFERENCES
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    canSAR739362
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight591.25
    AlogP3.95
    HBond donors8
    HBond acceptors10
    Atoms79
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR739362.