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canSAR993950
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NAMES
    SMILES
    CCN1CCN(CC2SC(c3ccccc3[N+](=O)[O-])N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1
    InChI
    InChI=1S/C37H40N10O5S/c1-5-44-18-20-45(21-19-44)23-31-33(49)46(34(53-31)27-11-7-9-13-29(27)47(50)51)25-16-14-24(15-17-25)38-35-39-36(42(2)3)41-37(40-35)52-30-22-32(48)43(4)28-12-8-6-10-26(28)30/h6-17,22,31,34H,5,18-21,23H2,1-4H3,(H,38,39,40,41)
    MOLECULAR FORMULA
    C37H40N10O5S
    CROSS REFERENCES
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    canSAR993950

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 736.29
    AlogP 5.02
    HBond donors 1
    HBond acceptors 15
    Atoms 93
    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 canSAR993950.