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canSAR1433096
FEATURES
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NAMES
    SMILES
    CCNc1nc(NCC)nc(NN=Cc2ccc(C(=O)OC)cc2)n1
    InChI
    InChI=1S/C16H21N7O2/c1-4-17-14-20-15(18-5-2)22-16(21-14)23-19-10-11-6-8-12(9-7-11)13(24)25-3/h6-10H,4-5H2,1-3H3,(H3,17,18,20,21,22,23)
    MOLECULAR FORMULA
    C16H21N7O2
    CROSS REFERENCES
    1433096 logo

    canSAR1433096

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 343.18
    AlogP 1.97
    HBond donors 3
    HBond acceptors 9
    Atoms 46
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1433096.