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canSAR2084301
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NAMES
    SMILES
    O=C(Nc1cccnn1)N1CCC(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1
    InChI
    InChI=1S/C22H22N6O2S/c29-22(25-20-7-4-10-23-26-20)28-11-8-16(9-12-28)21-24-18(14-31-21)17-13-19(30-27-17)15-5-2-1-3-6-15/h1-7,10,14,16,19H,8-9,11-13H2,(H,25,26,29)
    MOLECULAR FORMULA
    C22H22N6O2S
    CROSS REFERENCES
    2084301 logo

    canSAR2084301

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 434.15
    AlogP 4.21
    HBond donors 1
    HBond acceptors 8
    Atoms 53
    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 canSAR2084301.