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canSAR1724902
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NAMES
    SMILES
    CN(C)c1nc(Cl)nc(Nc2[nH]nc3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)n1
    InChI
    InChI=1S/C22H26ClN9O/c1-22(2)16-14(17(30-29-16)25-19-26-18(23)27-20(28-19)31(3)4)11-32(22)21(33)24-15-10-13(15)12-8-6-5-7-9-12/h5-9,13,15H,10-11H2,1-4H3,(H,24,33)(H2,25,26,27,28,29,30)
    MOLECULAR FORMULA
    C22H26ClN9O
    CROSS REFERENCES
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    canSAR1724902

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 467.19
    AlogP 3.37
    HBond donors 3
    HBond acceptors 10
    Atoms 59
    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 canSAR1724902.