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canSAR2052799
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1
    InChI
    InChI=1S/C21H30N6O3S/c1-12(2)11-16(25-13(3)28)19(30)26-15(8-6-10-24-21(22)23)18(29)20-27-14-7-4-5-9-17(14)31-20/h4-5,7,9,12,15-16H,6,8,10-11H2,1-3H3,(H,25,28)(H,26,30)(H4,22,23,24)/t15-,16+/m1/s1
    MOLECULAR FORMULA
    C21H30N6O3S
    CROSS REFERENCES
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    canSAR2052799

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 446.21
    AlogP 1.78
    HBond donors 6
    HBond acceptors 9
    Atoms 61
    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 canSAR2052799.