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canSAR549656
FEATURES
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NAMES
    SMILES
    C=C1CC(C)(COc2cc(C(=O)Nc3cc(C(=O)NCCC(=N)N)n(C)c3)n(C)n2)OC1=O.Cl
    InChI
    InChI=1S/C21H27N7O5.ClH/c1-12-9-21(2,33-20(12)31)11-32-17-8-15(28(4)26-17)19(30)25-13-7-14(27(3)10-13)18(29)24-6-5-16(22)23;/h7-8,10H,1,5-6,9,11H2,2-4H3,(H3,22,23)(H,24,29)(H,25,30);1H
    MOLECULAR FORMULA
    C21H28ClN7O5
    CROSS REFERENCES
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    canSAR549656

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 493.18
    AlogP 1.13
    HBond donors 5
    HBond acceptors 12
    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 canSAR549656.