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canSAR1986024
FEATURES
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NAMES
    SMILES
    O=C(Nc1cc(C(=O)Nc2cccc(S(=O)(=O)O)c2)cc(C(=O)Nc2cccc(S(=O)(=O)O)c2)c1)c1cccc(C(=O)Nc2cc(C(=O)Nc3cccc(S(=O)(=O)O)c3)cc(C(=O)Nc3cccc(S(=O)(=O)O)c3)c2)c1.[Na+]
    InChI
    InChI=1S/C48H36N6O18S4.Na/c55-43(53-37-19-29(45(57)49-33-8-2-12-39(23-33)73(61,62)63)17-30(20-37)46(58)50-34-9-3-13-40(24-34)74(64,65)66)27-6-1-7-28(16-27)44(56)54-38-21-31(47(59)51-35-10-4-14-41(25-35)75(67,68)69)18-32(22-38)48(60)52-36-11-5-15-42(26-36)76(70,71)72;/h1-26H,(H,49,57)(H,50,58)(H,51,59)(H,52,60)(H,53,55)(H,54,56)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72);/q;+1
    MOLECULAR FORMULA
    C48H36N6NaO18S4+
    CROSS REFERENCES
    1986024 logo

    canSAR1986024

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1135.09
    AlogP 3.19
    HBond donors 10
    HBond acceptors 24
    Atoms 113
    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 canSAR1986024.