canSAR1775047
FEATURES
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NAMES
    SMILES
    N#CC1=C(N)C(C#N)(C#N)C(c2ccncc2)C2CN(C(=O)OCc3ccccc3)CC=C12
    InChI
    InChI=1S/C25H20N6O2/c26-12-20-19-8-11-31(24(32)33-14-17-4-2-1-3-5-17)13-21(19)22(18-6-9-30-10-7-18)25(15-27,16-28)23(20)29/h1-10,21-22H,11,13-14,29H2
    MOLECULAR FORMULA
    C25H20N6O2
    CROSS REFERENCES
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    canSAR1775047
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight436.16
    AlogP3.14
    HBond donors2
    HBond acceptors8
    Atoms53
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1775047.