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canSAR1685809
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NAMES
    SMILES
    CCCn1c2ccccc2c2nnc(SCC(=O)Nc3nnc(CC(=O)OCC)s3)nc21
    InChI
    InChI=1S/C20H21N7O3S2/c1-3-9-27-13-8-6-5-7-12(13)17-18(27)22-19(25-24-17)31-11-14(28)21-20-26-23-15(32-20)10-16(29)30-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,21,26,28)
    MOLECULAR FORMULA
    C20H21N7O3S2
    CROSS REFERENCES
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    canSAR1685809

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 471.11
    AlogP 3.08
    HBond donors 1
    HBond acceptors 10
    Atoms 53
    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 canSAR1685809.