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canSAR1065691
FEATURES
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NAMES
    SMILES
    CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)[n+]([O-])c2Cl)CC1
    InChI
    InChI=1S/C23H31Cl2N5O4S/c1-15-12-19(24)30(33)21(25)20(15)22(31)26-8-4-16(2)28-9-5-18(6-10-28)29(23(32)27-34-3)13-17-7-11-35-14-17/h7,11-12,14,16,18H,4-6,8-10,13H2,1-3H3,(H,26,31)(H,27,32)/t16-/m1/s1
    MOLECULAR FORMULA
    C23H31Cl2N5O4S
    CROSS REFERENCES
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    canSAR1065691

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 543.15
    AlogP 3.74
    HBond donors 2
    HBond acceptors 9
    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 canSAR1065691.