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canSAR1110749
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NAMES
    SMILES
    N=c1c2c(=S)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2nc(NCc2ccccn2)n1-c1ccccc1
    InChI
    InChI=1S/C30H23N7S2/c31-26-25-27(34-29(33-20-21-12-10-11-19-32-21)35(26)22-13-4-1-5-14-22)36(23-15-6-2-7-16-23)30(39)37(28(25)38)24-17-8-3-9-18-24/h1-19,31H,20H2,(H,33,34)
    MOLECULAR FORMULA
    C30H23N7S2
    CROSS REFERENCES
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    canSAR1110749

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 545.15
    AlogP 6.55
    HBond donors 2
    HBond acceptors 7
    Atoms 62
    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 canSAR1110749.