canSAR823912
FEATURES
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NAMES
    SMILES
    OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)ccc1O
    InChI
    InChI=1S/C25H28N4O4S2/c30-12-16-10-19(3-4-21(16)32)33-13-18(31)11-26-17-5-7-29(8-6-17)24-23-20(22-2-1-9-34-22)14-35-25(23)28-15-27-24/h1-4,9-10,14-15,17-18,26,30-32H,5-8,11-13H2
    MOLECULAR FORMULA
    C25H28N4O4S2
    CROSS REFERENCES
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    canSAR823912
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight512.16
    AlogP3.62
    HBond donors4
    HBond acceptors8
    Atoms63
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823912.