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canSAR1068480
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NAMES
    SMILES
    N#CC1(n2cc([C@@H](NC(=O)c3cn4ccsc4n3)C3CCCCC3)nn2)CC1
    InChI
    InChI=1S/C19H21N7OS/c20-12-19(6-7-19)26-11-14(23-24-26)16(13-4-2-1-3-5-13)22-17(27)15-10-25-8-9-28-18(25)21-15/h8-11,13,16H,1-7H2,(H,22,27)/t16-/m0/s1
    MOLECULAR FORMULA
    C19H21N7OS
    CROSS REFERENCES
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    canSAR1068480

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 395.15
    AlogP 3.05
    HBond donors 1
    HBond acceptors 8
    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 canSAR1068480.