645034 logo
canSAR645034
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C[n+]1c2ccccc2n2c3ccccc3c(NCCc3ccccn3)c(C#N)c21.Cc1ccc(S(=O)(=O)[O-])cc1
    InChI
    InChI=1S/C24H19N5.C7H8O3S/c1-28-21-11-4-5-12-22(21)29-20-10-3-2-9-18(20)23(19(16-25)24(28)29)27-15-13-17-8-6-7-14-26-17;1-6-2-4-7(5-3-6)11(8,9)10/h2-12,14H,13,15H2,1H3;2-5H,1H3,(H,8,9,10)
    MOLECULAR FORMULA
    C31H27N5O3S
    CROSS REFERENCES
    645034 logo

    canSAR645034

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 549.18
    AlogP 4.89
    HBond donors 1
    HBond acceptors 8
    Atoms 67
    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 canSAR645034.