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canSAR1127587
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NAMES
    SMILES
    O=c1[nH]c(CN2CCN(Cc3ccccc3)CC2)nc2cc(-c3c[nH]c4ccccc34)sc12
    InChI
    InChI=1S/C26H25N5OS/c32-26-25-22(14-23(33-25)20-15-27-21-9-5-4-8-19(20)21)28-24(29-26)17-31-12-10-30(11-13-31)16-18-6-2-1-3-7-18/h1-9,14-15,27H,10-13,16-17H2,(H,28,29,32)
    MOLECULAR FORMULA
    C26H25N5OS
    CROSS REFERENCES
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    canSAR1127587

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 455.18
    AlogP 4.45
    HBond donors 2
    HBond acceptors 6
    Atoms 58
    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 canSAR1127587.