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canSAR1972388
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NAMES
    SMILES
    O=C(NCCc1ccccc1)C1CCCN(c2nc3ccccc3s2)C1
    InChI
    InChI=1S/C21H23N3OS/c25-20(22-13-12-16-7-2-1-3-8-16)17-9-6-14-24(15-17)21-23-18-10-4-5-11-19(18)26-21/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,22,25)
    MOLECULAR FORMULA
    C21H23N3OS
    CROSS REFERENCES
    1972388 logo

    canSAR1972388

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 365.16
    AlogP 3.87
    HBond donors 1
    HBond acceptors 4
    Atoms 49
    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 canSAR1972388.