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canSAR1502990
FEATURES
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NAMES
    SMILES
    CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCC(O)CC5)c([N+](=O)[O-])c4)c(Oc4cnc(N)c(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1
    InChI
    InChI=1S/C44H51Cl2N7O7S/c1-44(2)16-15-30(37(24-44)29-5-7-31(45)8-6-29)27-51-17-19-52(20-18-51)32-9-13-36(41(21-32)60-34-22-38(46)42(47)49-26-34)43(55)50-61(58,59)35-12-14-39(40(23-35)53(56)57)48-25-28-3-10-33(54)11-4-28/h5-9,12-14,21-23,26,28,33,48,54H,3-4,10-11,15-20,24-25,27H2,1-2H3,(H2,47,49)(H,50,55)
    MOLECULAR FORMULA
    C44H51Cl2N7O7S
    CROSS REFERENCES
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    canSAR1502990

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 891.29
    AlogP 8.54
    HBond donors 5
    HBond acceptors 14
    Atoms 112
    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 canSAR1502990.