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canSAR1201511
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NAMES
    SMILES
    CN(C)/C=C/C(=O)c1c[nH]c2ccc(-c3cncc(NCCN(C)C)n3)cc12
    InChI
    InChI=1S/C21H26N6O/c1-26(2)9-7-20(28)17-12-24-18-6-5-15(11-16(17)18)19-13-22-14-21(25-19)23-8-10-27(3)4/h5-7,9,11-14,24H,8,10H2,1-4H3,(H,23,25)/b9-7+
    MOLECULAR FORMULA
    C21H26N6O
    CROSS REFERENCES
    1201511 logo

    canSAR1201511

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 378.22
    AlogP 2.86
    HBond donors 2
    HBond acceptors 7
    Atoms 54
    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 canSAR1201511.