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canSAR1086325
FEATURES
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NAMES
    SMILES
    O=C(O)C1=C(CSc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)CS[C@@H]2[C@H](NC(=O)c3cc4ccccc4oc3=O)C(=O)N12
    InChI
    InChI=1S/C34H23N3O9S2/c38-28(22-13-17-5-1-3-7-24(17)45-33(22)43)35-20-9-11-21(12-10-20)47-15-19-16-48-31-26(30(40)37(31)27(19)32(41)42)36-29(39)23-14-18-6-2-4-8-25(18)46-34(23)44/h1-14,26,31H,15-16H2,(H,35,38)(H,36,39)(H,41,42)/t26-,31-/m1/s1
    MOLECULAR FORMULA
    C34H23N3O9S2
    CROSS REFERENCES
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    canSAR1086325

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 681.09
    AlogP 4.30
    HBond donors 3
    HBond acceptors 12
    Atoms 71
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1086325.