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canSAR2092429
FEATURES
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NAMES
    SMILES
    CN(C)S(=O)(=O)c1ccc(Nc2cc(-c3nc(N[C@@H]4CCNC4)c4sccc4n3)ccn2)cc1
    InChI
    InChI=1S/C23H25N7O2S2/c1-30(2)34(31,32)18-5-3-16(4-6-18)26-20-13-15(7-11-25-20)22-28-19-9-12-33-21(19)23(29-22)27-17-8-10-24-14-17/h3-7,9,11-13,17,24H,8,10,14H2,1-2H3,(H,25,26)(H,27,28,29)/t17-/m1/s1
    MOLECULAR FORMULA
    C23H25N7O2S2
    CROSS REFERENCES
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    canSAR2092429

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 495.15
    AlogP 3.52
    HBond donors 3
    HBond acceptors 9
    Atoms 59
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2092429.