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canSAR1970551
FEATURES
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NAMES
    SMILES
    CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CCCC6)CC5)c([N+](=O)[O-])c4)c(Oc4cccc(F)c4F)c3)CC2)=C(c2ccc(Cl)cc2)C1
    InChI
    InChI=1S/C48H55ClF2N6O6S/c1-48(2)21-18-33(40(30-48)32-10-12-34(49)13-11-32)31-54-24-26-56(27-25-54)37-14-16-39(45(28-37)63-44-9-5-8-41(50)46(44)51)47(58)53-64(61,62)38-15-17-42(43(29-38)57(59)60)52-35-19-22-55(23-20-35)36-6-3-4-7-36/h5,8-17,28-29,35-36,52H,3-4,6-7,18-27,30-31H2,1-2H3,(H,53,58)
    MOLECULAR FORMULA
    C48H55ClF2N6O6S
    CROSS REFERENCES
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    canSAR1970551

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 916.36
    AlogP 10.04
    HBond donors 2
    HBond acceptors 12
    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 canSAR1970551.