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canSAR1509494
FEATURES
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NAMES
    SMILES
    Br.O=C(NN=Cc1sc(N2CCOCC2)nc1-c1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
    InChI
    InChI=1S/C25H27N5O5S2.BrH/c31-24(20-7-4-8-21(17-20)37(32,33)30-11-15-35-16-12-30)28-26-18-22-23(19-5-2-1-3-6-19)27-25(36-22)29-9-13-34-14-10-29;/h1-8,17-18H,9-16H2,(H,28,31);1H
    MOLECULAR FORMULA
    C25H28BrN5O5S2
    CROSS REFERENCES
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    canSAR1509494

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 621.07
    AlogP 3.01
    HBond donors 1
    HBond acceptors 10
    Atoms 66
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1509494.