canSAR2256040
FEATURES
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NAMES
    SMILES
    O=S(=O)(O)O.S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1
    InChI
    InChI=1S/C23H21N5O3S.H2O4S/c32-23(24-12-15-5-6-18-19(11-15)30-14-29-18)28-9-7-27(8-10-28)22-21-20(25-13-26-22)16-3-1-2-4-17(16)31-21;1-5(2,3)4/h1-6,11,13H,7-10,12,14H2,(H,24,32);(H2,1,2,3,4)
    MOLECULAR FORMULA
    C23H23N5O7S2
    CROSS REFERENCES
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    canSAR2256040
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight545.10
    AlogP2.65
    HBond donors3
    HBond acceptors12
    Atoms60
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2256040.