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canSAR1962992
FEATURES
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NAMES
    SMILES
    CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(Cc6cscn6)CC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1
    InChI
    InChI=1S/C49H52ClFN8O6S2/c1-49(2)15-11-34(41(27-49)32-3-5-35(50)6-4-32)28-57-19-21-58(22-20-57)38-7-9-40(46(24-38)65-47-23-33-12-16-52-44(33)26-42(47)51)48(60)55-67(63,64)39-8-10-43(45(25-39)59(61)62)54-36-13-17-56(18-14-36)29-37-30-66-31-53-37/h3-10,12,16,23-26,30-31,36,52,54H,11,13-15,17-22,27-29H2,1-2H3,(H,55,60)
    MOLECULAR FORMULA
    C49H52ClFN8O6S2
    CROSS REFERENCES
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    canSAR1962992

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 966.31
    AlogP 10.10
    HBond donors 3
    HBond acceptors 14
    Atoms 119
    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 canSAR1962992.