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canSAR1958863
FEATURES
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NAMES
    SMILES
    CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCCS(C)(=O)=O)c([N+](=O)[O-])c4)c(Oc4cccc5[nH]ccc45)c3)CC2)=C(c2ccc(Cl)cc2)C1
    InChI
    InChI=1S/C44H49ClN6O8S2/c1-44(2)18-16-31(37(28-44)30-8-10-32(45)11-9-30)29-49-21-23-50(24-22-49)33-12-14-36(42(26-33)59-41-7-4-6-38-35(41)17-20-47-38)43(52)48-61(57,58)34-13-15-39(40(27-34)51(53)54)46-19-5-25-60(3,55)56/h4,6-15,17,20,26-27,46-47H,5,16,18-19,21-25,28-29H2,1-3H3,(H,48,52)
    MOLECULAR FORMULA
    C44H49ClN6O8S2
    CROSS REFERENCES
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    canSAR1958863

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 888.27
    AlogP 8.27
    HBond donors 3
    HBond acceptors 14
    Atoms 110
    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 canSAR1958863.