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canSAR785460
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NAMES
    SMILES
    CN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(C(=O)NC5CCCc6ccccc65)sc34)cc2)CC1
    InChI
    InChI=1S/C28H30N6O2S/c1-33-13-15-34(16-14-33)20-11-9-19(10-12-20)27(35)30-26-25-23(31-32-26)17-24(37-25)28(36)29-22-8-4-6-18-5-2-3-7-21(18)22/h2-3,5,7,9-12,17,22H,4,6,8,13-16H2,1H3,(H,29,36)(H2,30,31,32,35)
    MOLECULAR FORMULA
    C28H30N6O2S
    CROSS REFERENCES
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    canSAR785460

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 514.22
    AlogP 4.44
    HBond donors 3
    HBond acceptors 8
    Atoms 67
    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 canSAR785460.