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canSAR1090873
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NAMES
    SMILES
    CCc1[nH]c2nc(Sc3cnc4cccnc4c3)nc(N3CC[C@@H](N)C3)c2c1Cl
    InChI
    InChI=1S/C20H20ClN7S/c1-2-13-17(21)16-18(25-13)26-20(27-19(16)28-7-5-11(22)10-28)29-12-8-15-14(24-9-12)4-3-6-23-15/h3-4,6,8-9,11H,2,5,7,10,22H2,1H3,(H,25,26,27)/t11-/m1/s1
    MOLECULAR FORMULA
    C20H20ClN7S
    CROSS REFERENCES
    1090873 logo

    canSAR1090873

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 425.12
    AlogP 3.81
    HBond donors 3
    HBond acceptors 7
    Atoms 49
    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 canSAR1090873.