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canSAR1441613
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NAMES
    SMILES
    O=C(CSc1ncnc2c1cnn2-c1ccccc1Cl)N1CCN(C(=O)c2ccco2)CC1
    InChI
    InChI=1S/C22H19ClN6O3S/c23-16-4-1-2-5-17(16)29-20-15(12-26-29)21(25-14-24-20)33-13-19(30)27-7-9-28(10-8-27)22(31)18-6-3-11-32-18/h1-6,11-12,14H,7-10,13H2
    MOLECULAR FORMULA
    C22H19ClN6O3S
    CROSS REFERENCES
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    canSAR1441613

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 482.09
    AlogP 3.14
    HBond donors 0
    HBond acceptors 9
    Atoms 52
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1441613.