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canSAR1442354
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NAMES
    SMILES
    Oc1cc(-c2nc3ccccc3s2)cc2c1OCCN(Cc1cccn1-c1ncccn1)C2
    InChI
    InChI=1S/C25H21N5O2S/c31-21-14-17(24-28-20-6-1-2-7-22(20)33-24)13-18-15-29(11-12-32-23(18)21)16-19-5-3-10-30(19)25-26-8-4-9-27-25/h1-10,13-14,31H,11-12,15-16H2
    MOLECULAR FORMULA
    C25H21N5O2S
    CROSS REFERENCES
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    canSAR1442354

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 455.14
    AlogP 4.64
    HBond donors 1
    HBond acceptors 7
    Atoms 54
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1442354.