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canSAR1964916
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NAMES
    SMILES
    CC(C)C(c1nnnn1Cc1ccco1)N1CCN(c2nc3ccccc3s2)CC1
    InChI
    InChI=1S/C21H25N7OS/c1-15(2)19(20-23-24-25-28(20)14-16-6-5-13-29-16)26-9-11-27(12-10-26)21-22-17-7-3-4-8-18(17)30-21/h3-8,13,15,19H,9-12,14H2,1-2H3
    MOLECULAR FORMULA
    C21H25N7OS
    CROSS REFERENCES
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    canSAR1964916

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 423.18
    AlogP 3.44
    HBond donors 0
    HBond acceptors 8
    Atoms 55
    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 canSAR1964916.