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canSAR72608
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NAMES
    SMILES
    Cc1nc(-c2c3ccccc3nc3ccccc23)sc1CCOC(=O)c1ccc(N/N=N/c2ccc(C(=N)N)cc2)cc1
    InChI
    InChI=1S/C33H27N7O2S/c1-20-29(43-32(36-20)30-25-6-2-4-8-27(25)37-28-9-5-3-7-26(28)30)18-19-42-33(41)22-12-16-24(17-13-22)39-40-38-23-14-10-21(11-15-23)31(34)35/h2-17H,18-19H2,1H3,(H3,34,35)(H,38,39)
    MOLECULAR FORMULA
    C33H27N7O2S
    CROSS REFERENCES
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    canSAR72608

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 585.19
    AlogP 7.61
    HBond donors 4
    HBond acceptors 9
    Atoms 70
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR72608.