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canSAR503629
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NAMES
    SMILES
    NC(N)=NCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1
    InChI
    InChI=1S/C24H30N6O3/c25-19(10-6-12-28-24(26)27)22(31)30-21(23(32)33-15-16-7-2-1-3-8-16)13-17-14-29-20-11-5-4-9-18(17)20/h1-5,7-9,11,14,19,21,29H,6,10,12-13,15,25H2,(H,30,31)(H4,26,27,28)/t19-,21-/m0/s1
    MOLECULAR FORMULA
    C24H30N6O3
    CROSS REFERENCES
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    canSAR503629

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 450.24
    AlogP 1.32
    HBond donors 8
    HBond acceptors 9
    Atoms 63
    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 canSAR503629.