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canSAR1509286
FEATURES
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NAMES
    SMILES
    O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1Oc1cccc2ccccc12
    InChI
    InChI=1S/C46H44ClN5O7S/c47-36-14-12-34(13-15-36)39-9-3-2-7-35(39)31-50-22-24-51(25-23-50)37-16-18-41(45(28-37)59-44-11-5-8-33-6-1-4-10-40(33)44)46(53)49-60(56,57)38-17-19-42(43(29-38)52(54)55)48-30-32-20-26-58-27-21-32/h1-19,28-29,32,48H,20-27,30-31H2,(H,49,53)
    MOLECULAR FORMULA
    C46H44ClN5O7S
    CROSS REFERENCES
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    canSAR1509286

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 845.26
    AlogP 9.14
    HBond donors 2
    HBond acceptors 12
    Atoms 104
    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 canSAR1509286.